Geometry & MOs

Info

ID:	382818
PubChem CID:	134974183
Reduced:	SCl2N2O4H14C15 (1)
Stoich.:	AB2C2D4E14F15 (1)
Weight, g/mol:	253.11365
ΔH_f, kcal/mol:	-55.23
Dipole, Da:	2.63
IP(EA), eV:	-9.92(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[(methyl-oxo-phenyl-lambda6-sulfanylidene)amino]cyclohexan-1-ol

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)NC(C2=CC=CC=C2)C([N+](=O)[O-])(Cl)Cl

DOS

IR

Vibrations