Geometry & MOs

Info

ID:

158877

PubChem CID:

57244126

Reduced:

FS2N4O5H25C27 (1)

Stoich.:

AB2C4D5E25F27 (1)

Weight, g/mol:

634.088778

ΔHf, kcal/mol:

-132.37

Dipole, Da:

4.28

IP(EA), eV:

 -9.32(-1.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CS(=O)(=O)CC[C@@H](C(=O)O)NC(=O)C1=C(C=C(C=C1)C=C(CN2C=CN=C2)C3=NC=CS3)C4=CC=C(C=C4)F

DOS

IR

Vibrations