Geometry & MOs

Info

ID:	167295
PubChem CID:	74805494
Reduced:	ON2F3C24H26 (1)
Stoich.:	AB2C3D24E26 (1)
Weight, g/mol:	442.1904
ΔH_f, kcal/mol:	-108.03
Dipole, Da:	6.49
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.756151
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[3-[2-[(4-fluoro-3-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]propanoylamino]-2-phenylacetate

Drug info:

PubChemData

Smile

C1CC23C(CC([NH+]2C1)C4=CC(=CC=C4)C(F)(F)F)CN(C3=O)CCC5=CC=CC=C5

DOS

IR

Vibrations