Geometry & MOs

Info

ID:	302462
PubChem CID:	124361839
Reduced:	SN3O4C22H25 (1)
Stoich.:	AB3C4D22E25 (1)
Weight, g/mol:	379.154349
ΔH_f, kcal/mol:	-112.29
Dipole, Da:	6.29
IP(EA), eV:	-8.28(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(2R)-2-[[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoyl]amino]butanoic acid

Drug info:

PubChemData

Smile

CSCC[C@H](C(=O)NC1=CC2=C(C=C1)OCO2)NC(=O)[C@@H]3CC4=CC=CC=C4CN3

DOS

IR

Vibrations