Geometry & MOs

Info

ID:

109705

PubChem CID:

50294817

Reduced:

FO5N6C37H45 (1)

Stoich.:

AB5C6D37E45 (1)

Weight, g/mol:

762.354111

ΔHf, kcal/mol:

-237.73

Dipole, Da:

6.1

IP(EA), eV:

 -8.58(-0.52)

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-[(2-methylphenyl)carbamoyl]anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C2=CC(=C(C=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C)C(=O)NC4=CC=CC(=C4)C(=O)NC(C)C)C)F

DOS

IR

Vibrations