Geometry & MOs

Info

ID:	436183
PubChem CID:	135194378
Reduced:	ClFN5O10C34H43 (1)
Stoich.:	ABC5D10E34F43 (1)
Weight, g/mol:	728.164512
ΔH_f, kcal/mol:	-432.7
Dipole, Da:	5.21
IP(EA), eV:	-9.44(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[2-[[(2R,3S,4S,5R)-5-(6-amino-2-chloropurin-9-yl)-4-fluoro-3-(4-nitrobenzoyl)oxyoxolan-2-yl]methoxy]-2-ethoxycarbonyl-3-oxobutyl]benzoate

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CCOC(=O)C(CC1=CC=C(C=C1)C)(C(=O)C)OC[C@@H]2[C@H](C([C@@H](O2)N3C=NC4=C3N=C(N=C4N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)Cl)F)O

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CCOC(=O)C(CC1=CC=C(C=C1)C)(C(=O)C)OC[C@@H]2[C@H](C([C@@H](O2)N3C=NC4=C3N=C(N=C4N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)Cl)F)O

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):