Geometry & MOs

Info

ID:

107217

PubChem CID:

50195197

Reduced:

FN6O7C40H47 (1)

Stoich.:

AB6C7D40E47 (1)

Weight, g/mol:

742.349026

ΔHf, kcal/mol:

-281.78

Dipole, Da:

8.36

IP(EA), eV:

 -8.56(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-fluoro-5-[(2-methoxybenzoyl)amino]phenyl]-1-[1-[1-[2-methyl-4-(morpholine-4-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N2CCOCC2)NC(=O)C(C)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=C(C=CC(=C5)NC(=O)C6=CC(=CC=C6)OC)F

DOS

IR

Vibrations