Geometry & MOs

Info

ID:

134733

PubChem CID:

51747540

Reduced:

ClNO2C13H14 (2)

Stoich.:

ABC2D13E14 (2)

Weight, g/mol:

532.330108

ΔHf, kcal/mol:

-126.07

Dipole, Da:

2.25

IP(EA), eV:

 -8.84(-0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(1S)-1-(2,4-dimethylphenyl)-2-oxo-2-(2,4,4-trimethylpentan-2-ylamino)ethyl]-N-(furan-2-ylmethyl)-3-(4-methoxyphenyl)propanamide

Drug info:

PubChemData

Smile

CC(C)(C)NC(=O)[C@@H](C1=CC=C(C=C1)OC)N(CC2=CC=CO2)C(=O)CC3=C(C(=CC=C3)Cl)Cl

DOS

IR

Vibrations