Geometry & MOs

Info

ID:

318891

PubChem CID:

126653628

Reduced:

N3O4C19H25 (1)

Stoich.:

A3B4C19D25 (1)

Weight, g/mol:

716.524057

ΔHf, kcal/mol:

-119.41

Dipole, Da:

10.57

IP(EA), eV:

 -9.03(-1.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-ethyl-N-[5-[3-[6-(2-ethylbutanoylamino)-2,3,3-trimethyl-1-propan-2-yl-2H-indol-5-yl]-2,4-dihydroxycyclobutyl]-2,3,3-trimethyl-1-propan-2-yl-2H-indol-6-yl]butanamide

Drug info:

PubChemData

Smile

CCCN1C(=O)C(=C/C=C/2\N(C(CO2)(C)C)C#C)C(=O)N(C1=O)CCC

DOS

IR

Vibrations