Geometry & MOs

Info

ID:

44964

PubChem CID:

10506868

Reduced:

O2N3C15H21 (2)

Stoich.:

A2B3C15D21 (2)

Weight, g/mol:

550.326754

ΔHf, kcal/mol:

-170.52

Dipole, Da:

12.02

IP(EA), eV:

 -8.71(-0.41)

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-methyl-1H-imidazole-4-carboxylate

Drug info:

PubChemData

Smile

CC1=C(N=C(N1)[C@@H](CC2=CN(C3=CC=CC=C32)C)NC(=O)[C@H](CC(C)C)NC(=O)NC4CCCCCC4)C(=O)O

DOS

IR

Vibrations