Geometry & MOs

Info

ID:	173745
PubChem CID:	75677909
Reduced:	N2O3S3H17C22 (1)
Stoich.:	A2B3C3D17E22 (1)
Weight, g/mol:	242.015486
ΔH_f, kcal/mol:	-1.78
Dipole, Da:	5.71
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.004218
Charge, e:	-1

Chem-info

IUPAC name:

4-(4-chlorophenyl)-6-sulfanylidene-1,3,5-triazinan-2-olate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C(=O)C3C(C4=C(N=C(S4)[S-])SC3C2=O)C5=CC=C(C=C5)OC

DOS

IR

Vibrations