Geometry & MOs

Info

ID:	436363
PubChem CID:	135199377
Reduced:	FN2O7C25H31 (1)
Stoich.:	AB2C7D25E31 (1)
Weight, g/mol:	502.231516
ΔH_f, kcal/mol:	-303.74
Dipole, Da:	10.77
IP(EA), eV:	-8.89(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S,3S)-3-(2,4-dimethoxyphenyl)-4-methylpentan-2-yl] (2S)-2-[(3-acetyloxy-4-methoxypyridine-2-carbonyl)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@H](C1=CC(=C(C=C1)OC)F)C(C)C)OC(=O)[C@H](C)NC(=O)C2=NC=CC(=C2OC(=O)C)OC

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@H](C1=CC(=C(C=C1)OC)F)C(C)C)OC(=O)[C@H](C)NC(=O)C2=NC=CC(=C2OC(=O)C)OC

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):