Geometry & MOs

Info

ID:	121299
PubChem CID:	50762248
Reduced:	SO2N4C25H28 (1)
Stoich.:	AB2C4D25E28 (1)
Weight, g/mol:	450.06128
ΔH_f, kcal/mol:	-1.49
Dipole, Da:	4.21
IP(EA), eV:	-9.08(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-bromophenyl)sulfonyl-N-(3,4-dimethylphenyl)piperidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NC3=C(N2CCNS(=O)(=O)C4=CC=C(C=C4)CC(C)C)N=CC=C3

DOS

IR

Vibrations