Geometry & MOs

Info

ID:

215223

PubChem CID:

85084390

Reduced:

N5O8C42H61 (1)

Stoich.:

A5B8C42D61 (1)

Weight, g/mol:

763.39043

ΔHf, kcal/mol:

-382.13

Dipole, Da:

4.45

IP(EA), eV:

 -8.67(-0.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-[6-[4-[2-[tert-butyl(dimethyl)silyl]oxyphenyl]-5-(6-ethoxy-6-oxohex-2-enyl)-1,3-dioxan-2-yl]naphthalen-2-yl]-7-pyridin-3-ylhept-6-enoic acid

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)NC(CC1=CNC2=CC=CC=C21)C(CC(=O)NC(C(C)C)C(=O)OCC3=CC=CC=C3)O)NC(=O)C(C(C)CC)NC(=O)OC(C)(C)C

DOS

IR

Vibrations