Geometry & MOs

Info

ID:	175751
PubChem CID:	75943190
Reduced:	SO2N4C23H30 (1)
Stoich.:	AB2C4D23E30 (1)
Weight, g/mol:	433.236542
ΔH_f, kcal/mol:	-53.43
Dipole, Da:	3.49
IP(EA), eV:	-8.15(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,7-dimethyl-N-[1-oxo-1-(3-pyrrolidin-1-ylanilino)pentan-2-yl]-1-benzofuran-2-carboxamide

Drug info:

PubChemData

Smile

CCCC(C(=O)NC1=CC(=CC=C1)N2CCCC2)NC(=O)C3=CC(=NC=C3)SCC

DOS

IR

Vibrations