Geometry & MOs

Info

ID:

113643

PubChem CID:

50453241

Reduced:

ClF2O5N6C38H43 (1)

Stoich.:

AB2C5D6E38F43 (1)

Weight, g/mol:

722.279503

ΔHf, kcal/mol:

-276.29

Dipole, Da:

5.73

IP(EA), eV:

 -8.57(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-chloro-3-(propanoylamino)phenyl]-1-[1-[1-[3-[(2,6-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=CC(=C(C=C4)Cl)NC(=O)C(C)C)C(=O)NC5=C(C=CC=C5F)F

DOS

IR

Vibrations