Geometry & MOs

Info

ID:	78455
PubChem CID:	49689778
Reduced:	SO2N4C20H26 (1)
Stoich.:	AB2C4D20E26 (1)
Weight, g/mol:	387.172896
ΔH_f, kcal/mol:	-38.29
Dipole, Da:	8.63
IP(EA), eV:	-9.58(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCC1=CC=C(C=C1)C(=O)NCC2CCN(CC2)C(=O)C3=C(N=NS3)C

DOS

IR

Vibrations