Geometry & MOs

Info

ID:	175476
PubChem CID:	75909536
Reduced:	BrSN3O3C16H25 (1)
Stoich.:	ABC3D3E16F25 (1)
Weight, g/mol:	417.07218
ΔH_f, kcal/mol:	-85.96
Dipole, Da:	7.93
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.752343
Charge, e:	0

Chem-info

IUPAC name:

3-[(4-bromophenyl)sulfonylamino]-N-(1-ethylpiperidin-3-yl)propanamide

Drug info:

PubChemData

Smile

CC[NH+]1CCCC(C1)NC(=O)CCNS(=O)(=O)C2=CC=C(C=C2)Br

DOS

IR

Vibrations