Geometry & MOs

Info

ID:	376696
PubChem CID:	134222719
Reduced:	FPN7O7C25H35 (1)
Stoich.:	ABC7D7E25F35 (1)
Weight, g/mol:	595.231962
ΔH_f, kcal/mol:	-347.17
Dipole, Da:	5.8
IP(EA), eV:	-8.46(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl (2S)-2-[[[(3R,4R,5R)-5-[2,6-bis(methylamino)purin-9-yl]-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate

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

C[C@@H](C(=O)OC(C)C)NP(=O)(OCC1[C@H]([C@@]([C@@H](O1)N2C=NC3=C(N=C(N=C32)NC)NC)(C)F)O)OC4=CC=CC=C4

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

C[C@@H](C(=O)OC(C)C)NP(=O)(OCC1[C@H]([C@@]([C@@H](O1)N2C=NC3=C(N=C(N=C32)NC)NC)(C)F)O)OC4=CC=CC=C4

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):