Geometry & MOs

Info

ID:

220048

PubChem CID:

85165184

Reduced:

ClNSiO4C38H42 (1)

Stoich.:

ABCD4E38F42 (1)

Weight, g/mol:

640.242081

ΔHf, kcal/mol:

-157.95

Dipole, Da:

4.93

IP(EA), eV:

 -9.04(-0.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

dimethyl 2-[5-cyano-4-(1,3-dimethoxy-1,3-dioxopropan-2-yl)-2-methoxy-1-trityl-3,4-dihydro-2H-pyridin-3-yl]propanedioate

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)OCCC(CCCC(=O)N3C(COC3=O)C4=CC=CC=C4)C5=CC=C(C=C5)Cl

DOS

IR

Vibrations