Geometry & MOs

Info

ID:	339635
PubChem CID:	127261625
Reduced:	OSI2N3H7C8 (1)
Stoich.:	ABC2D3E7F8 (1)
Weight, g/mol:	209.062283
ΔH_f, kcal/mol:	64.97
Dipole, Da:	3.02
IP(EA), eV:	-9.11(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C\1=C(C=C(C(=O)/C1=C\NNC(=S)N)I)I

DOS

IR

Vibrations