Geometry & MOs

Info

ID:	122838
PubChem CID:	50823692
Reduced:	SN2O3C21H26 (1)
Stoich.:	AB2C3D21E26 (1)
Weight, g/mol:	450.06128
ΔH_f, kcal/mol:	-104.56
Dipole, Da:	4.4
IP(EA), eV:	-9.31(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[2-(4-bromophenyl)acetyl]piperidin-4-yl]-4-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)NC2CCN(CC2)C(=O)C3=C(C=C(C=C3)C)C

DOS

IR

Vibrations