Geometry & MOs

Info

ID:	387499
PubChem CID:	134985594
Reduced:	SN2Cl3O6C12H13 (1)
Stoich.:	AB2C3D6E12F13 (1)
Weight, g/mol:	403.94034
ΔH_f, kcal/mol:	-161.04
Dipole, Da:	3.29
IP(EA), eV:	-10.57(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2,2-trichloroethyl N-[1-(3-nitrophenyl)-1-oxopropan-2-yl]sulfamate

Drug info:

PubChemData

Smile

CCC(C(=O)C1=CC(=CC=C1)[N+](=O)[O-])NS(=O)(=O)OCC(Cl)(Cl)Cl

DOS

IR

Vibrations