Geometry & MOs

Info

ID:	17727
PubChem CID:	515468
Reduced:	S2F3N6H15C16 (1)
Stoich.:	A2B3C6D15E16 (1)
Weight, g/mol:	412.075171
ΔH_f, kcal/mol:	-20.97
Dipole, Da:	6.4
IP(EA), eV:	-9.13(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations