Geometry & MOs

Info

ID:

163361

PubChem CID:

57841344

Reduced:

NO3C33H43 (1)

Stoich.:

AB3C33D43 (1)

Weight, g/mol:

607.37337

ΔHf, kcal/mol:

-103.42

Dipole, Da:

6.17

IP(EA), eV:

 -9.09(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-3-[(2S)-2-[[tert-butyl(methyl)carbamoyl]amino]-2-(2,3-dihydro-1H-inden-2-yl)acetyl]-N-[1,2-dioxo-1-(prop-2-enylamino)hexan-3-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide

Drug info:

PubChemData

Smile

CCCCCCCCC#CC1=CC=C(C=C1)CN(C2=CC=CC(=C2)C(=O)OC)C(=O)CCC3CCCC3

DOS

IR

Vibrations