Geometry & MOs

Info

ID:	175006
PubChem CID:	75844193
Reduced:	O2N3C20H31 (1)
Stoich.:	A2B3C20D31 (1)
Weight, g/mol:	418.03506
ΔH_f, kcal/mol:	-115.78
Dipole, Da:	3.56
IP(EA), eV:	-9.39(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-acetyl-N-[4-(4-bromophenyl)sulfanylphenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(CCC1=CC=CC=C1)NC(=O)NCCC(=O)NC2CCCCC2

DOS

IR

Vibrations