Geometry & MOs

Info

ID:

113906

PubChem CID:

50463544

Reduced:

ClF2O5N6C42H45 (1)

Stoich.:

AB2C5D6E42F45 (1)

Weight, g/mol:

772.295152

ΔHf, kcal/mol:

-257.72

Dipole, Da:

6.3

IP(EA), eV:

 -8.62(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)NC2=C(C=C(C=C2)NC(=O)C(C(C)C)NC(=O)C3CCN(CC3)C(C)C(=O)NC4=CC=CC(=C4C)C(=O)NC5=CC(=C(C=C5)F)F)Cl

DOS

IR

Vibrations