Geometry & MOs

Info

ID:	17730
PubChem CID:	515472
Reduced:	ClS2N6C15H15 (1)
Stoich.:	AB2C6D15E15 (1)
Weight, g/mol:	378.048815
ΔH_f, kcal/mol:	129.3
Dipole, Da:	4.51
IP(EA), eV:	-8.95(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations