Geometry & MOs

Info

ID:	125924
PubChem CID:	50944082
Reduced:	N3O3H27C28 (1)
Stoich.:	A3B3C27D28 (1)
Weight, g/mol:	475.147426
ΔH_f, kcal/mol:	-66.9
Dipole, Da:	4.18
IP(EA), eV:	-9.16(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-[(2S)-1-(3-chlorobenzoyl)pyrrolidine-2-carbonyl]-N-[(2,4-difluorophenyl)methyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN2C3=CC=CC=C3C(=O)N(C2=O)CC4=CC=C(C=C4)C(=O)N5CCCC5

DOS

IR

Vibrations