Geometry & MOs

Info

ID:	137260
PubChem CID:	52178909
Reduced:	NO2C8H8 (2)
Stoich.:	AB2C8D8 (2)
Weight, g/mol:	415.084676
ΔH_f, kcal/mol:	-108.86
Dipole, Da:	4.65
IP(EA), eV:	-8.79(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(5-benzylsulfanyl-2-sulfanylidene-1,3,4-thiadiazol-3-yl)-N,N-diethylbenzamide

Drug info:

PubChemData

Smile

COC1=CC=CC=C1OC(=O)C2=CC=C(C=C2)CNC(=O)N

DOS

IR

Vibrations