Geometry & MOs

Info

ID:	151072
PubChem CID:	53790769
Reduced:	NO2C21H33 (1)
Stoich.:	AB2C21D33 (1)
Weight, g/mol:	497.162057
ΔH_f, kcal/mol:	-115.45
Dipole, Da:	2.37
IP(EA), eV:	-9.5(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-[2-[benzyl(methyl)sulfamoyl]ethylidene]-2,6-dimethyl-4-(3-nitrophenyl)-4H-pyridine-3-carboxylate

Drug info:

PubChemData

Smile

C1CCCC(CC1)CCCCCCNC(=O)OCC2=CC=CC=C2

DOS

IR

Vibrations