Geometry & MOs

Info

ID:	84124
PubChem CID:	49864326
Reduced:	N3O7C10H15 (1)
Stoich.:	A3B7C10D15 (1)
Weight, g/mol:	454.120796
ΔH_f, kcal/mol:	-256.55
Dipole, Da:	1.93
IP(EA), eV:	-10.37(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4R)-4-N-(4-chlorophenyl)-3-N-[2-fluoro-4-(2-oxopyridin-1-yl)phenyl]pyrrolidine-3,4-dicarboxamide

Drug info:

PubChemData

Smile

C1C(=O)ON([C@H](C(=O)N1)CO)C(=O)[C@H](CCC(=O)O)N

DOS

IR

Vibrations