Geometry & MOs

Info

ID:

98225

PubChem CID:

50040925

Reduced:

ClF2O5N6C42H43 (1)

Stoich.:

AB2C5D6E42F43 (1)

Weight, g/mol:

750.310803

ΔHf, kcal/mol:

-240.31

Dipole, Da:

6.74

IP(EA), eV:

 -8.21(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(butan-2-ylcarbamoyl)-4-chlorophenyl]-1-[1-[1-[5-[(2,6-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC=C2F)F)NC(=O)C(C)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC(=C(C=C5)NC(=O)C6=CC=CC=C6Cl)C

DOS

IR

Vibrations