Geometry & MOs

Info

ID:

91347

PubChem CID:

49975227

Reduced:

FN6O6C36H41 (1)

Stoich.:

AB6C6D36E41 (1)

Weight, g/mol:

688.302076

ΔHf, kcal/mol:

-248.27

Dipole, Da:

6.35

IP(EA), eV:

 -9.07(-0.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[3-[(2-fluorobenzoyl)amino]-4-methoxyanilino]-2-oxoethyl]-1-[2-[2-methyl-5-(morpholine-4-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C2=CC=CC=C2NC(=O)CNC(=O)C3CCN(CC3)CC(=O)NC4=C(C=CC(=C4)C(=O)N5CCOCC5)C)F

DOS

IR

Vibrations