Geometry & MOs

Info

ID:	137704
PubChem CID:	52246935
Reduced:	NO2C9H13 (2)
Stoich.:	AB2C9D13 (2)
Weight, g/mol:	324.077993
ΔH_f, kcal/mol:	-161.66
Dipole, Da:	8.12
IP(EA), eV:	-9.0(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-N-(2-methyl-5-nitrophenyl)sulfonylcyclohex-3-ene-1-carboxamide

Drug info:

PubChemData

Smile

CCCCC(=O)N1CCN(CC1)C(=O)C2=C(C=C(C=C2)OC)OC

DOS

IR

Vibrations