Geometry & MOs

Info

ID:

114207

PubChem CID:

50474305

Reduced:

FO5N6C39H47 (1)

Stoich.:

AB5C6D39E47 (1)

Weight, g/mol:

740.313389

ΔHf, kcal/mol:

-240.36

Dipole, Da:

5.58

IP(EA), eV:

 -8.75(-0.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[4-[(2-fluorobenzoyl)amino]-3-methoxyanilino]-3-oxopropyl]-1-[2-[3-[(2-fluoro-4-methylphenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C2=C(C(=CC=C2)NC(=O)CN3CCC(CC3)C(=O)NCCC(=O)NC4=CC(=CC=C4)NC(=O)C5CCCCC5)C)F

DOS

IR

Vibrations