Geometry & MOs

Info

ID:

185972

PubChem CID:

77374551

Reduced:

ClNO5C14H18 (2)

Stoich.:

ABC5D14E18 (2)

Weight, g/mol:

566.166723

ΔHf, kcal/mol:

-416.78

Dipole, Da:

5.99

IP(EA), eV:

 -9.06(-1.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[2-[2-(2-aminoethoxy)ethoxymethyl]-4-(2-chlorophenyl)-3-ethoxycarbonyl-5-methoxycarbonyl-6-methyl-1H-pyridin-4-yl]but-2-enedioic acid

Drug info:

PubChemData

Smile

CC1=C(C(C(=C(N1)COCCOCCN)C(=O)OCC(C)C)C2=C(C(=CC=C2)Cl)Cl)C(=O)OC.C(=CC(=O)O)C(=O)O

DOS

IR

Vibrations