Geometry & MOs

Info

ID:

47296

PubChem CID:

10531288

Reduced:

N3O6H33C34 (1)

Stoich.:

A3B6C33D34 (1)

Weight, g/mol:

579.34207

ΔHf, kcal/mol:

-160.01

Dipole, Da:

6.16

IP(EA), eV:

 -8.57(-0.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 2-[(1R)-1-[[(2S)-2-(azepane-1-carbonylamino)-4-methylpentanoyl]amino]-2-(1H-indol-3-yl)ethyl]-5-propyl-1,3-oxazole-4-carboxylate

Drug info:

PubChemData

Smile

CC(=O)OC[C@@H](C1=CC=CC=C1)N2C(=O)C[C@H]([C@@H](C2=O)NC(=O)OCC=C)C3=CN(C4=CC=CC=C43)CC5=CC=CC=C5

DOS

IR

Vibrations