Geometry & MOs

Info

ID:	238221
PubChem CID:	92729807
Reduced:	O3N5C27H33 (1)
Stoich.:	A3B5C27D33 (1)
Weight, g/mol:	413.150619
ΔH_f, kcal/mol:	-74.1
Dipole, Da:	4.13
IP(EA), eV:	-8.47(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-[4-[(2-chlorobenzoyl)amino]benzoyl]-N-propan-2-ylpyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CN1CCN(CC1)CCNC(=O)C2=CC=CC(=C2)CN3C4=CC=CC=C4C(=O)N5CCC[C@@H]5C3=O

DOS

IR

Vibrations