Geometry & MOs

Info

ID:	173966
PubChem CID:	75706074
Reduced:	N3O4C31H39 (1)
Stoich.:	A3B4C31D39 (1)
Weight, g/mol:	521.184812
ΔH_f, kcal/mol:	-128.04
Dipole, Da:	2.29
IP(EA), eV:	-9.19(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(2,6-dichlorophenyl)-2-oxo-2-(2,4,4-trimethylpentan-2-ylamino)ethyl]-N-(furan-2-ylmethyl)-5-oxopyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(C(=O)NC(C)(C)CC(C)(C)C)N(CC2=CC=CO2)C(=O)CNC(=O)C3=CC=CC=C3

DOS

IR

Vibrations