Geometry & MOs

Info

ID:

186233

PubChem CID:

77406163

Reduced:

OCl2N4H20C22 (1)

Stoich.:

AB2C4D20E22 (1)

Weight, g/mol:

575.331899

ΔHf, kcal/mol:

44.31

Dipole, Da:

3.26

IP(EA), eV:

 -8.91(-1.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[[1-[2-[(3-amino-1-cyclobutyl-2,3-dioxopropyl)carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]cyclohexane-1-carboxylic acid

Drug info:

PubChemData

Smile

CCC1C(C2NC(=C(C(=O)N2N1)C)C3=CC=C(C=C3)C#N)C4=C(C=C(C=C4)Cl)Cl

DOS

IR

Vibrations