Geometry & MOs

Info

ID:	156665
PubChem CID:	56371603
Reduced:	O3N5C27H35 (1)
Stoich.:	A3B5C27D35 (1)
Weight, g/mol:	484.214427
ΔH_f, kcal/mol:	-111.87
Dipole, Da:	4.37
IP(EA), eV:	-8.03(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-oxo-4-(3-pyrrolidin-1-ylanilino)butan-2-yl]-3-pyrrolidin-1-ylsulfonylbenzamide

Drug info:

PubChemData

Smile

CCCN1C2=CC=CC=C2N(C1=O)CCC(=O)NC(C)CC(=O)NC3=CC(=CC=C3)N4CCCC4

DOS

IR

Vibrations