Geometry & MOs

Info

ID:	78468
PubChem CID:	49689842
Reduced:	SN4O4C20H20 (1)
Stoich.:	AB4C4D20E20 (1)
Weight, g/mol:	412.052752
ΔH_f, kcal/mol:	-68.35
Dipole, Da:	10.03
IP(EA), eV:	-9.72(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,5-dichloro-N-[[1-(4-methylthiadiazole-5-carbonyl)piperidin-4-yl]methyl]benzamide

Drug info:

PubChemData

Smile

CC1=C(SN=N1)C(=O)N2CCC(CC2)CNC(=O)C3=CC(=O)C4=CC=CC=C4O3

DOS

IR

Vibrations