Geometry & MOs

Info

ID:	443385
PubChem CID:	135258802
Reduced:	PN4O12C22H29 (1)
Stoich.:	AB4C12D22E29 (1)
Weight, g/mol:	690.23021
ΔH_f, kcal/mol:	-511.71
Dipole, Da:	3.97
IP(EA), eV:	-9.51(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-O-benzyl 1-O-(3-methylbutyl) (2S)-2-[[[(2R,3S,4R)-5-(4-carbamoyl-5-hydroxyimidazol-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]amino]butanedioate

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

COC(=O)C[C@@H](C(=O)OC)NCP(=O)(OC[C@@H]1[C@H]([C@](CO1)(N2C=NC(=C2O)C(=O)N)O)O)OC3=CC=CC=C3

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

COC(=O)C[C@@H](C(=O)OC)NCP(=O)(OC[C@@H]1[C@H]([C@](CO1)(N2C=NC(=C2O)C(=O)N)O)O)OC3=CC=CC=C3

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):