Geometry & MOs

Info

ID:

103024

PubChem CID:

50070334

Reduced:

FO5N6C41H51 (1)

Stoich.:

AB5C6D41E51 (1)

Weight, g/mol:

754.329039

ΔHf, kcal/mol:

-241.2

Dipole, Da:

4.85

IP(EA), eV:

 -8.72(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[2-fluoro-5-[(2-methoxybenzoyl)amino]anilino]-1-oxopropan-2-yl]-1-[1-[5-[(2-fluoro-4-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C2=CC(=C(C=C2)C)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C)C(=O)NC4=C(C=CC=C4C(=O)NC5CCCCC5)C)F

DOS

IR

Vibrations