Geometry & MOs

Info

ID:

215290

PubChem CID:

85084490

Reduced:

O3N4C22H30 (2)

Stoich.:

A3B4C22D30 (2)

Weight, g/mol:

796.51569

ΔHf, kcal/mol:

-236.71

Dipole, Da:

4.09

IP(EA), eV:

 -8.55(-0.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 9-[6-[4-but-3-en-2-yl-9-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-1,3,7-trioxaspiro[5.5]undecan-11-yl]-1-methoxy-3,5-dimethylhex-5-enyl]-8-methoxy-2,2,6-trimethyl-1,3,10-trioxaspiro[4.5]decane-4-carboxylate

Drug info:

PubChemData

Smile

CCC(C)C1C(=O)N2CCCCC2C(=O)NC(C(=O)N(C(C(=O)N3CCCC3C(=O)NC(C(=O)N1)CC4=CNC5=CC=CC=C54)CC6=CC=CC=C6)C)CCCCN

DOS

IR

Vibrations