Geometry & MOs

Info

ID:	405428
PubChem CID:	135073877
Reduced:	SN2O4C19H22 (1)
Stoich.:	AB2C4D19E22 (1)
Weight, g/mol:	325.134779
ΔH_f, kcal/mol:	-38.86
Dipole, Da:	4.71
IP(EA), eV:	-9.56(-1.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(Z)-2-methylhept-2-enyl] N-(4-methylphenyl)sulfonylcarbamate

Drug info:

PubChemData

Smile

CC/C=C(/CCCNS(=O)(=O)C1=CC=CC(=C1)[N+](=O)[O-])\C2=CC=CC=C2

DOS

IR

Vibrations