Geometry & MOs

Info

ID:	21876
PubChem CID:	593022
Reduced:	SO2N3H13C18 (1)
Stoich.:	AB2C3D13E18 (1)
Weight, g/mol:	335.072848
ΔH_f, kcal/mol:	96.35
Dipole, Da:	3.87
IP(EA), eV:	-9.06(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-naphthalen-1-yl-2-(4-nitrophenyl)-2,3-dihydro-1,3,4-thiadiazole

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC=C2C3=NNC(S3)C4=CC=C(C=C4)[N+](=O)[O-]

DOS

IR

Vibrations