Geometry & MOs

Info

ID:	61163
PubChem CID:	26706502
Reduced:	SN3O5C24H31 (1)
Stoich.:	AB3C5D24E31 (1)
Weight, g/mol:	457.203528
ΔH_f, kcal/mol:	-176.03
Dipole, Da:	7.19
IP(EA), eV:	-8.95(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[[(2S)-butan-2-yl]carbamoyl]phenyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC[C@@H](C)NC(=O)C1=CC=CC=C1NC(=O)/C=C/C2=CC(=C(C=C2)OC)S(=O)(=O)NC(C)C

DOS

IR

Vibrations