Geometry & MOs

Info

ID:	156546
PubChem CID:	56371082
Reduced:	N3O3C25H33 (1)
Stoich.:	A3B3C25D33 (1)
Weight, g/mol:	425.213698
ΔH_f, kcal/mol:	-124.6
Dipole, Da:	6.97
IP(EA), eV:	-8.0(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)OC1=CC=CC(=C1)CC(=O)NC(C)CC(=O)NC2=CC(=CC=C2)N3CCCC3

DOS

IR

Vibrations