Geometry & MOs

Info

ID:	391410
PubChem CID:	135004848
Reduced:	OSN2C15H18 (1)
Stoich.:	ABC2D15E18 (1)
Weight, g/mol:	367.163102
ΔH_f, kcal/mol:	-15.16
Dipole, Da:	1.56
IP(EA), eV:	-8.51(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-O,5-O-diethyl 3-O-methyl 1-tert-butyl-2-methyl-6-oxopyridine-3,4,5-tricarboxylate

Drug info:

PubChemData

Smile

CCCCNC(=O)C1=C(SC=C1C2=CC=CC=C2)N

DOS

IR

Vibrations