Geometry & MOs

Info

ID:

219773

PubChem CID:

85164882

Reduced:

N3O7C33H45 (1)

Stoich.:

A3B7C33D45 (1)

Weight, g/mol:

595.319226

ΔHf, kcal/mol:

-317.62

Dipole, Da:

3.64

IP(EA), eV:

 -9.58(-0.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)OC(C)(C)C)NC(=O)C(C1CCCN1C(=O)C(CC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3)O

DOS

IR

Vibrations