Geometry & MOs

Info

ID:

101051

PubChem CID:

50064308

Reduced:

FO5N6C40H43 (1)

Stoich.:

AB5C6D40E43 (1)

Weight, g/mol:

724.318475

ΔHf, kcal/mol:

-192.53

Dipole, Da:

15.34

IP(EA), eV:

 -8.48(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[4-[(4-fluorobenzoyl)amino]anilino]-3-oxopropyl]-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)NCCC(=O)NC4=CC=C(C=C4)NC(=O)C5=CC=CC=C5)F

DOS

IR

Vibrations