Geometry & MOs

Info

ID:

443182

PubChem CID:

135258016

Reduced:

N2O3C19H22 (1)

Stoich.:

A2B3C19D22 (1)

Weight, g/mol:

508.232185

ΔHf, kcal/mol:

-76.3

Dipole, Da:

4.13

IP(EA), eV:

 -9.07(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(2S,3R)-3-hydroxy-1-[[(2S)-3-(3-methylphenoxy)-1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl]amino]-1-oxobutan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CNC(=O)[C@H](CCOC2=CC=CC(=C2)C=O)N

DOS

IR

Vibrations