Geometry & MOs

Info

ID:	17729
PubChem CID:	515470
Reduced:	S2N7H15C16 (1)
Stoich.:	A2B7C15D16 (1)
Weight, g/mol:	369.083036
ΔH_f, kcal/mol:	178.13
Dipole, Da:	7.44
IP(EA), eV:	-9.2(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[N-(3-cyanophenyl)-C-sulfanylcarbonimidoyl]amino]-N'-(1-pyridin-2-ylethylideneamino)carbamimidothioic acid

Drug info:

PubChemData

Smile

CC(=NN=C(NNC(=NC1=CC=CC(=C1)C#N)S)S)C2=CC=CC=N2

DOS

IR

Vibrations