Geometry & MOs

Info

ID:	7934
PubChem CID:	74487
Reduced:	SN3C13H13 (1)
Stoich.:	AB3C13D13 (1)
Weight, g/mol:	243.083019
ΔH_f, kcal/mol:	90.97
Dipole, Da:	4.65
IP(EA), eV:	-8.8(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-anilino-N'-phenylcarbamimidothioic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations