Geometry & MOs

Info

ID:	436373
PubChem CID:	135199461
Reduced:	FSN2O5C25H31 (1)
Stoich.:	ABC2D5E25F31 (1)
Weight, g/mol:	544.25848
ΔH_f, kcal/mol:	-225.95
Dipole, Da:	6.76
IP(EA), eV:	-8.78(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S,2R)-1-cyclohexyl-1-(4-fluoro-2-methylphenyl)propan-2-yl] (2S)-2-[[3-(acetyloxymethoxy)-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

CC1=C(C=CC(=C1)F)[C@@H]([C@H](C)OC(=O)[C@H](C)NC(=S)C2=NC=CC(=C2OC(=O)C)OC)C(C)C

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

CC1=C(C=CC(=C1)F)[C@@H]([C@H](C)OC(=O)[C@H](C)NC(=S)C2=NC=CC(=C2OC(=O)C)OC)C(C)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):