Geometry & MOs

Info

ID:	339629
PubChem CID:	127261619
Reduced:	OSN3H9C10 (1)
Stoich.:	ABC3D9E10 (1)
Weight, g/mol:	185.062283
ΔH_f, kcal/mol:	47.17
Dipole, Da:	7.09
IP(EA), eV:	-8.47(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(E)-(3-methyl-2-oxocyclopentylidene)amino]thiourea

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=C/C(=N\NC(=S)N)/O2

DOS

IR

Vibrations