Geometry & MOs

Info

ID:

191348

PubChem CID:

78135604

Reduced:

O5N6C39H48 (1)

Stoich.:

A5B6C39D48 (1)

Weight, g/mol:

718.513217

ΔHf, kcal/mol:

-131.88

Dipole, Da:

15.34

IP(EA), eV:

 -8.91(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[6-hydroxy-8-[1-(1-hydroxy-3-bicyclo[3.3.1]nonanyl)ethylcarbamoyl]-3-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-2,9-dimethyldecan-5-yl]carbamate

Drug info:

PubChemData

Smile

CCCCN(CCCC)C(=O)C1=NN(C(=C1)C)C2=C(C=C(C=C2)NC(=O)NCC3=CC=C(C=C3)OC)C(=O)N4CC5=CC=CC=C5CC4CO

DOS

IR

Vibrations