Geometry & MOs

Info

ID:	64544
PubChem CID:	29202805
Reduced:	SN3O4C18H29 (1)
Stoich.:	AB3C4D18E29 (1)
Weight, g/mol:	421.014403
ΔH_f, kcal/mol:	-158.16
Dipole, Da:	6.94
IP(EA), eV:	-8.89(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[4-(4-chlorophenyl)-5-sulfanylidene-1,3,4-thiadiazol-2-yl]sulfanyl]-N-methyl-N-phenylpropanamide

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C1=CC(=C(C=C1)N2CCCCC2)C(=O)NCCCOC

DOS

IR

Vibrations