Geometry & MOs

Info

ID:	78459
PubChem CID:	49689817
Reduced:	SO4N5C18H21 (1)
Stoich.:	AB4C5D18E21 (1)
Weight, g/mol:	403.131425
ΔH_f, kcal/mol:	-32.0
Dipole, Da:	5.91
IP(EA), eV:	-9.75(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations