Geometry & MOs

Info

ID:

443180

PubChem CID:

135257985

Reduced:

N6O6C27H34 (1)

Stoich.:

A6B6C27D34 (1)

Weight, g/mol:

526.222763

ΔHf, kcal/mol:

-151.16

Dipole, Da:

6.86

IP(EA), eV:

 -9.48(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CNC(=O)[C@H](CCCCNC(=O)C(=C)C#N)NC(=O)[C@H](COC)NC(=O)C2=NOC(=C2)C

DOS

IR

Vibrations