Geometry & MOs

Info

ID:	6823
PubChem CID:	70173
Reduced:	SN3H11C12 (1)
Stoich.:	AB3C11D12 (1)
Weight, g/mol:	229.067369
ΔH_f, kcal/mol:	74.32
Dipole, Da:	1.25
IP(EA), eV:	-8.71(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-phenyl-N'-pyridin-2-ylcarbamimidothioic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)NC(=NC2=CC=CC=N2)S

DOS

IR

Vibrations