Geometry & MOs

Info

ID:

215217

PubChem CID:

85084379

Reduced:

N4O8C43H60 (1)

Stoich.:

A4B8C43D60 (1)

Weight, g/mol:

760.476163

ΔHf, kcal/mol:

-303.86

Dipole, Da:

6.54

IP(EA), eV:

 -8.56(0.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[2-[5-ethyl-5-[5-[6-hydroxy-6-(hydroxymethyl)-3,5-dimethyloxan-2-yl]-3-methyloxolan-2-yl]oxolan-2-yl]-2,8-dimethyl-7-phenylmethoxy-1,10-dioxaspiro[4.5]decan-9-yl]-3-methoxy-2-methylpentanoic acid

Drug info:

PubChemData

Smile

CCCCNC(=O)CC(C(CC1=CC=CC=C1)NC(=O)CC2CN(CCN2C(=O)CCC3=CC(=C(C(=C3)OC)OC)OC)CCOCCC4=CC=CC=C4)O

DOS

IR

Vibrations