Geometry & MOs

Info

ID:

437192

PubChem CID:

135215639

Reduced:

OF3N4C21H25 (1)

Stoich.:

AB3C4D21E25 (1)

Weight, g/mol:

726.335268

ΔHf, kcal/mol:

-171.44

Dipole, Da:

9.72

IP(EA), eV:

 -8.74(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4R)-4-[1-benzyl-4-(2,5-difluorophenyl)imidazol-2-yl]-N-[2-[2-(2,5-dioxopyrrolidin-1-yl)ethoxy]ethyl]-4-[[(3S,4R)-4-fluoropyrrolidin-3-yl]methyl-(2-hydroxyacetyl)amino]-3,3-dimethylbutanamide

Drug info:

PubChemData

Smile

CC(C)N1C2=C(CCC(C2)CC(C)C3=CNC4=C3NC(=O)C=C4)C(=N1)C(F)(F)F

DOS

IR

Vibrations