Geometry & MOs

Info

ID:	130516
PubChem CID:	51091014
Reduced:	OSN4C17H22 (1)
Stoich.:	ABC4D17E22 (1)
Weight, g/mol:	322.092204
ΔH_f, kcal/mol:	38.21
Dipole, Da:	7.42
IP(EA), eV:	-8.79(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-N,N-dimethylbenzamide

Drug info:

PubChemData

Smile

CCN1C(=NN=C1SCC2=CC(=CC=C2)C(=O)N(C)C)C3CC3

DOS

IR

Vibrations