Geometry & MOs

Info

ID:

179240

PubChem CID:

76455420

Reduced:

N4O4C23H32 (1)

Stoich.:

A4B4C23D32 (1)

Weight, g/mol:

698.439793

ΔHf, kcal/mol:

-148.8

Dipole, Da:

8.4

IP(EA), eV:

 -9.5(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[1-[4-[4-[2-[3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]pent-2-enoyl]cyclopropyl] hydrogen carbonate

Drug info:

PubChemData

Smile

CCCN1C(N(C2C1N(C(=O)NC2=O)CCC(=O)O)CC3=CC=CC=C3)C4CCCC4

DOS

IR

Vibrations