Geometry & MOs

Info

ID:	338851
PubChem CID:	127259862
Reduced:	OCl2N5H7C10 (1)
Stoich.:	AB2C5D7E10 (1)
Weight, g/mol:	180.07212
ΔH_f, kcal/mol:	89.95
Dipole, Da:	5.52
IP(EA), eV:	-10.18(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6Z)-6-[amino(ethylamino)methylidene]cyclohexa-2,4-diene-1-thione

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)/C(=N/OC2=NC(=NC(=N2)Cl)Cl)/N

DOS

IR

Vibrations