Geometry & MOs

Info

ID:	150267
PubChem CID:	53789955
Reduced:	NO4C24H27 (1)
Stoich.:	AB4C24D27 (1)
Weight, g/mol:	573.135899
ΔH_f, kcal/mol:	-143.38
Dipole, Da:	4.51
IP(EA), eV:	-8.86(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-O-[2-(1,3-dioxoisoindol-2-yl)ethyl] 3-O-ethyl 6-methyl-4-(3-nitrophenyl)-2-(trifluoromethyl)-3,4-dihydropyridine-3,5-dicarboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1C(C(=C(N=C1C)C)C(=O)OC(C)C)C2=CC=CC3=CC=CC=C32

DOS

IR

Vibrations