Geometry & MOs

Info

ID:	339620
PubChem CID:	127261610
Reduced:	S2N3C9H11 (1)
Stoich.:	A2B3C9D11 (1)
Weight, g/mol:	240.039105
ΔH_f, kcal/mol:	78.62
Dipole, Da:	2.11
IP(EA), eV:	-8.15(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[[(1Z)-1-(3-methyl-6-oxocyclohexa-2,4-dien-1-ylidene)ethyl]amino]carbamodithioic acid

Drug info:

PubChemData

Smile

CSC(=S)N/N=C/C1=CC=CC=C1N

DOS

IR

Vibrations