Geometry & MOs

Info

ID:

188798

PubChem CID:

77768422

Reduced:

N4O7C35H54 (1)

Stoich.:

A4B7C35D54 (1)

Weight, g/mol:

642.39925

ΔHf, kcal/mol:

-363.42

Dipole, Da:

3.41

IP(EA), eV:

 -8.56(-0.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl 1-[[2-(2-aminopropanoylamino)-3-methylpentanoyl]-[5-ethoxy-3-hydroxy-1-(1H-indol-3-yl)-5-oxopentan-2-yl]amino]cyclohexane-1-carboxylate

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)NC(CC1=CNC2=CC=CC=C21)C(CC(=O)OCC)O)NC(=O)C(C)NC3(CCCCC3)C(=O)OC(C)(C)C

DOS

IR

Vibrations