Geometry & MOs

Info

ID:

221814

PubChem CID:

85286170

Reduced:

FSN2O7C33H39 (1)

Stoich.:

ABC2D7E33F39 (1)

Weight, g/mol:

626.342798

ΔHf, kcal/mol:

-259.03

Dipole, Da:

3.54

IP(EA), eV:

 -8.56(-0.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl 2-[[3-[3-(1-adamantyloxymethyl)imidazol-4-yl]-1-(2-carbamoylpyrrolidin-1-yl)-1-oxopropan-2-yl]carbamoyl]-5-oxopyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

CCCN(CCN1CC(C(C1C2=CC(=C(C=C2)OC)F)C(=O)OCC)C3=CC4=C(C=C3)OCO4)S(=O)(=O)CC5=CC=CC=C5

DOS

IR

Vibrations