Geometry & MOs

Info

ID:	339634
PubChem CID:	127261624
Reduced:	OSN4C7H12 (1)
Stoich.:	ABC4D7E12 (1)
Weight, g/mol:	446.83993
ΔH_f, kcal/mol:	-13.19
Dipole, Da:	8.33
IP(EA), eV:	-8.74(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[[(Z)-(3,5-diiodo-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]thiourea

Drug info:

PubChemData

Smile

C1CCNC(=O)/C(=N\NC(=S)N)/C1

DOS

IR

Vibrations