Geometry & MOs

Info

ID:	156339
PubChem CID:	56370188
Reduced:	BrN3O3C24H30 (1)
Stoich.:	AB3C3D24E30 (1)
Weight, g/mol:	467.224263
ΔH_f, kcal/mol:	-116.49
Dipole, Da:	6.26
IP(EA), eV:	-7.87(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(oxolan-2-ylmethylsulfanyl)-N-[4-oxo-4-(3-pyrrolidin-1-ylanilino)butan-2-yl]benzamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OC(C)C(=O)NC(C)CC(=O)NC2=CC(=CC=C2)N3CCCC3)Br

DOS

IR

Vibrations