Geometry & MOs

Info

ID:	56102
PubChem CID:	17404408
Reduced:	O2S3N4C15H24 (1)
Stoich.:	A2B3C4D15E24 (1)
Weight, g/mol:	396.074839
ΔH_f, kcal/mol:	-62.1
Dipole, Da:	5.53
IP(EA), eV:	-9.07(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-propylacetamide

Drug info:

PubChemData

Smile

CCCNC(=O)CSC1=NN=C(S1)SC(C)C(=O)NC2CCCC2

DOS

IR

Vibrations