Geometry & MOs

Info

ID:

215164

PubChem CID:

85084294

Reduced:

NO12C39H59 (1)

Stoich.:

AB12C39D59 (1)

Weight, g/mol:

733.361468

ΔHf, kcal/mol:

-604.76

Dipole, Da:

2.52

IP(EA), eV:

 -9.67(0.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 7-[4-[[3-[5-(6-ethoxy-6-oxohex-2-enyl)-4-(2-hydroxyphenyl)-1,3-dioxan-2-yl]phenyl]methoxy]phenyl]-7-pyridin-3-ylhept-6-enoate

Drug info:

PubChemData

Smile

CC(CCC(=O)OC)C1CCC2C1(CCC3C2CC(=O)C4C3(CCC(C4)OC5C(C(C(C(O5)COC(=O)C)OC(=O)C)OC(=O)C)NC(=O)C)C)C

DOS

IR

Vibrations