Geometry & MOs

Info

ID:

97890

PubChem CID:

50036468

Reduced:

ClF2O5N6C42H45 (1)

Stoich.:

AB2C5D6E42F45 (1)

Weight, g/mol:

704.349775

ΔHf, kcal/mol:

-250.1

Dipole, Da:

8.59

IP(EA), eV:

 -8.68(-0.97)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-[(2,6-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-N-[3-methyl-1-[4-methyl-3-(propanoylamino)anilino]-1-oxobutan-2-yl]piperidine-4-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)NC(C(C)C)C(=O)NC4=CC(=C(C=C4)C)NC(=O)C5=CC=CC=C5Cl

DOS

IR

Vibrations