Geometry & MOs

Info

ID:	78472
PubChem CID:	49689854
Reduced:	SO3N4C21H28 (1)
Stoich.:	AB3C4D21E28 (1)
Weight, g/mol:	422.04121
ΔH_f, kcal/mol:	-75.05
Dipole, Da:	5.94
IP(EA), eV:	-9.09(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-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)COC3=CC=C(C=C3)C(C)C

DOS

IR

Vibrations