Geometry & MOs

Info

ID:	173263
PubChem CID:	75612119
Reduced:	NOC10H13 (3)
Stoich.:	ABC10D13 (3)
Weight, g/mol:	497.04202
ΔH_f, kcal/mol:	-130.97
Dipole, Da:	8.19
IP(EA), eV:	-9.1(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-bromophenyl)sulfonyl-N-[2-[(4-fluorobenzoyl)amino]ethyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCC(C1=CC=CC=C1)C(=O)N2CCC(CC2)C(=O)NC3CCCCC3NC(=O)C4=CC=CC=C4C

DOS

IR

Vibrations