Geometry & MOs

Info

ID:	156305
PubChem CID:	56370029
Reduced:	ClSO3N4C15H19 (1)
Stoich.:	ABC3D4E15F19 (1)
Weight, g/mol:	432.111225
ΔH_f, kcal/mol:	-79.44
Dipole, Da:	4.03
IP(EA), eV:	-8.96(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[ethyl(propan-2-yl)amino]methyl]-N-[5-(thiophen-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]benzamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC(=NN1)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)NC)Cl

DOS

IR

Vibrations