Geometry & MOs

Info

ID:	13258
PubChem CID:	224489
Reduced:	OSN4C11H14 (1)
Stoich.:	ABC4D11E14 (1)
Weight, g/mol:	250.088832
ΔH_f, kcal/mol:	9.66
Dipole, Da:	4.05
IP(EA), eV:	-8.43(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[(4-acetamido-2-methylphenyl)methylideneamino]carbamimidothioic acid

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)NC(=O)C)C=NN=C(N)S

DOS

IR

Vibrations