Geometry & MOs

Info

ID:

111305

PubChem CID:

50362110

Reduced:

FN6O6C40H49 (1)

Stoich.:

AB6C6D40E49 (1)

Weight, g/mol:

728.369761

ΔHf, kcal/mol:

-260.8

Dipole, Da:

5.93

IP(EA), eV:

 -8.88(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[2-fluoro-5-[(2-methoxybenzoyl)amino]anilino]-3-oxopropyl]-1-[1-[2-methyl-3-(3-methylpiperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=C(C(=CC=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NCCC(=O)NC4=C(C=CC(=C4)NC(=O)C5=CC(=CC=C5)OC)F)C

DOS

IR

Vibrations