Geometry & MOs

Info

ID:	5033
PubChem CID:	12482
Reduced:	NSH11C13 (1)
Stoich.:	ABC11D13 (1)
Weight, g/mol:	213.061221
ΔH_f, kcal/mol:	69.73
Dipole, Da:	3.79
IP(EA), eV:	-8.92(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-phenylbenzenecarboximidothioic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=NC2=CC=CC=C2)S

DOS

IR

Vibrations