Geometry & MOs

Info

ID:	125927
PubChem CID:	50944106
Reduced:	N3O3C25H29 (1)
Stoich.:	A3B3C25D29 (1)
Weight, g/mol:	337.160183
ΔH_f, kcal/mol:	-90.36
Dipole, Da:	3.54
IP(EA), eV:	-9.14(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[(2,4-difluorophenyl)methyl]-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=CC=C1)NC(=O)[C@@H]2CCCN2C(=O)[C@@H]3CCCN3C(=O)C4=CC=CC=C4

DOS

IR

Vibrations