Geometry & MOs

Info

ID:

113381

PubChem CID:

50441560

Reduced:

ClF2O5N6C42H45 (1)

Stoich.:

AB2C5D6E42F45 (1)

Weight, g/mol:

756.324703

ΔHf, kcal/mol:

-252.9

Dipole, Da:

7.18

IP(EA), eV:

 -8.73(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[3-[(2,4-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-N-[1-[3-[(2-fluorobenzoyl)amino]anilino]-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)Cl)NC(=O)C(C(C)C)NC(=O)C3CCN(CC3)C(C)C(=O)NC4=CC=CC(=C4C)C(=O)NC5=C(C=C(C=C5)F)F

DOS

IR

Vibrations