Geometry & MOs

Info

ID:	339638
PubChem CID:	127261628
Reduced:	ISN3C8H8 (1)
Stoich.:	ABC3D8E8 (1)
Weight, g/mol:	208.078268
ΔH_f, kcal/mol:	82.61
Dipole, Da:	3.11
IP(EA), eV:	-8.88(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(E)-1-(2-aminophenyl)ethylideneamino]thiourea

Drug info:

PubChemData

Smile

C1=CC(=CC=C1/C=N/NC(=S)N)I

DOS

IR

Vibrations