Geometry & MOs

Info

ID:	155720
PubChem CID:	56367146
Reduced:	S2N3O4C24H31 (1)
Stoich.:	A2B3C4D24E31 (1)
Weight, g/mol:	449.1314
ΔH_f, kcal/mol:	-146.82
Dipole, Da:	5.22
IP(EA), eV:	-9.31(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[1-(4-bromo-3-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidin-3-yl]butanamide

Drug info:

PubChemData

Smile

CC(C)NC(=O)CSC1=CC=CC=C1C(=O)NCC2=CC(=CC=C2)S(=O)(=O)N3CCCCC3

DOS

IR

Vibrations