Geometry & MOs

Info

ID:	121300
PubChem CID:	50762271
Reduced:	BrSN2O3C20H23 (1)
Stoich.:	ABC2D3E20F23 (1)
Weight, g/mol:	464.07693
ΔH_f, kcal/mol:	-96.05
Dipole, Da:	4.98
IP(EA), eV:	-8.55(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-bromophenyl)sulfonyl-N-[(4-ethylphenyl)methyl]piperidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C2CCCCN2S(=O)(=O)C3=CC=C(C=C3)Br)C

DOS

IR

Vibrations