Geometry & MOs

Info

ID:	401442
PubChem CID:	135051281
Reduced:	NOSC12H12 (2)
Stoich.:	ABCD12E12 (2)
Weight, g/mol:	309.9195
ΔH_f, kcal/mol:	18.27
Dipole, Da:	2.09
IP(EA), eV:	-8.51(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(4-chlorophenyl)-1lambda4,2-dithiacyclopenta-3,5-dien-1-yl] hydrogen sulfate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)NC(=S)C(CC2=CC=CC=C2)C(=S)NC3=CC=C(C=C3)OC

DOS

IR

Vibrations