Geometry & MOs

Info

ID:	132769
PubChem CID:	51416715
Reduced:	ClSO2H4C6 (1)
Stoich.:	ABC2D4E6 (1)
Weight, g/mol:	372.062972
ΔH_f, kcal/mol:	-22.03
Dipole, Da:	5.91
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.913000
Charge, e:	-1

Chem-info

IUPAC name:

[C-(4-ethoxy-2,4-dioxobutyl)sulfanyl-N-[3-(trifluoromethyl)phenyl]carbonimidoyl]iminomethylideneazanide

Drug info:

PubChemData

Smile

CC1=C(SC(=C1)C(=O)[O-])Cl

DOS

IR

Vibrations