Geometry & MOs

Info

ID:	238120
PubChem CID:	92729704
Reduced:	SN3O4C24H31 (1)
Stoich.:	AB3C4D24E31 (1)
Weight, g/mol:	457.203528
ΔH_f, kcal/mol:	-149.17
Dipole, Da:	9.16
IP(EA), eV:	-9.13(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-1-[3-[(4-methylphenyl)sulfonylamino]benzoyl]-N-(2-methylpropyl)piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC(=C2)C(=O)N3CCC[C@H](C3)C(=O)NCC(C)C

DOS

IR

Vibrations