Geometry & MOs

Info

ID:

189483

PubChem CID:

77864113

Reduced:

FCl2O3N4C33H35 (1)

Stoich.:

AB2C3D4E33F35 (1)

Weight, g/mol:

751.434256

ΔHf, kcal/mol:

-133.09

Dipole, Da:

5.71

IP(EA), eV:

 -8.65(-0.98)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-cyclobutyl-4-(cyclopropylamino)-3,4-dioxobutan-2-yl]-3-[2-[[2-cyclohexyl-2-(2,3-dihydrothiophene-5-carbonylamino)acetyl]amino]-2-(1-methylcyclohexyl)acetyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)F)C2C3(C(CC(=O)N2CC(=O)NC4CCN(CC4)C)C5CC=CC(=C5)Cl)C6=C(C=C(C=C6)Cl)NC3=O

DOS

IR

Vibrations