Geometry & MOs

Info

ID:	78458
PubChem CID:	49689816
Reduced:	SO2N4C21H30 (1)
Stoich.:	AB2C4D21E30 (1)
Weight, g/mol:	403.131425
ΔH_f, kcal/mol:	-75.26
Dipole, Da:	7.83
IP(EA), eV:	-9.56(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(SN=N1)C(=O)N2CCC(CC2)CNC(=O)C34CC5CC(C3)CC(C5)C4

DOS

IR

Vibrations