Geometry & MOs

Info

ID:	238125
PubChem CID:	92729709
Reduced:	SN3O4C25H33 (1)
Stoich.:	AB3C4D25E33 (1)
Weight, g/mol:	485.234828
ΔH_f, kcal/mol:	-159.93
Dipole, Da:	9.85
IP(EA), eV:	-9.3(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-N-(2-methylpropyl)-1-[3-[(4-propan-2-ylphenyl)sulfonylamino]benzoyl]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)C

DOS

IR

Vibrations