Geometry & MOs

Info

ID:	78460
PubChem CID:	49689818
Reduced:	SO4N5C18H21 (1)
Stoich.:	AB4C5D18E21 (1)
Weight, g/mol:	403.131425
ΔH_f, kcal/mol:	-31.55
Dipole, Da:	5.94
IP(EA), eV:	-9.75(-1.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NCC2CCN(CC2)C(=O)C3=C(N=NS3)C)[N+](=O)[O-]

DOS

IR

Vibrations