Geometry & MOs

Info

ID:	50918
PubChem CID:	12013511
Reduced:	SO3N5H17C20 (1)
Stoich.:	AB3C5D17E20 (1)
Weight, g/mol:	363.078996
ΔH_f, kcal/mol:	49.53
Dipole, Da:	11.27
IP(EA), eV:	-8.43(-1.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2Z)-2-(5-acetyl-3-phenyl-1,3,4-thiadiazol-2-ylidene)hydrazinyl]indol-2-one

Drug info:

PubChemData

Smile

CCOC(=O)C1=NN(/C(=N/NC2=C3C=CC=CC3=NC2=O)/S1)C4=CC=C(C=C4)C

DOS

IR

Vibrations