Geometry & MOs

Info

ID:	238135
PubChem CID:	92729720
Reduced:	SN3O4C27H35 (1)
Stoich.:	AB3C4D27E35 (1)
Weight, g/mol:	497.234828
ΔH_f, kcal/mol:	-157.39
Dipole, Da:	10.25
IP(EA), eV:	-9.1(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-N-butyl-1-[3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)benzoyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CCCCNC(=O)[C@@H]1CCCN(C1)C(=O)C2=CC(=CC=C2)NS(=O)(=O)C3=CC4=C(CCCC4)C=C3

DOS

IR

Vibrations