Geometry & MOs

Info

ID:	16346
PubChem CID:	464942
Reduced:	SN3O3C11H13 (1)
Stoich.:	AB3C3D11E13 (1)
Weight, g/mol:	267.067762
ΔH_f, kcal/mol:	-51.32
Dipole, Da:	3.45
IP(EA), eV:	-8.57(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[(4-acetyloxy-3-methoxyphenyl)methylideneamino]carbamimidothioic acid

Drug info:

PubChemData

Smile

CC(=O)OC1=C(C=C(C=C1)C=NN=C(N)S)OC

DOS

IR

Vibrations