Geometry & MOs

Info

ID:

98669

PubChem CID:

50045659

Reduced:

F2O5N6C42H46 (1)

Stoich.:

A2B5C6D42E46 (1)

Weight, g/mol:

766.365425

ΔHf, kcal/mol:

-243.72

Dipole, Da:

5.96

IP(EA), eV:

 -8.85(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-[(2,4-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-N-[3-methyl-1-[2-methyl-3-[(2-methylphenyl)carbamoyl]anilino]-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=C(C=C2)F)F)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=CC=CC(=C4C)C(=O)NC5=CC=CC=C5

DOS

IR

Vibrations