Geometry & MOs

Info

ID:	435878
PubChem CID:	135192660
Reduced:	NO2C23H27 (1)
Stoich.:	AB2C23D27 (1)
Weight, g/mol:	241.968306
ΔH_f, kcal/mol:	-44.21
Dipole, Da:	4.94
IP(EA), eV:	-8.44(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

hydroxy-oxo-sulfanylidene-[4-(trifluoromethyl)phenyl]-lambda6-sulfane

Drug info:

PubChemData

Smile

CCCC/C=C/C1=C2C(=CC=C1)N(CC(O2)CC)C(=O)C3=CC=CC=C3

DOS

IR

Vibrations