Geometry & MOs

Info

ID:	238159
PubChem CID:	92729744
Reduced:	SN3O4C24H31 (1)
Stoich.:	AB3C4D24E31 (1)
Weight, g/mol:	457.203528
ΔH_f, kcal/mol:	-151.92
Dipole, Da:	7.72
IP(EA), eV:	-8.98(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-1-[3-[(4-tert-butylphenyl)sulfonylamino]benzoyl]-N-methylpiperidine-3-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations