Geometry & MOs

Info

ID:

113680

PubChem CID:

50454543

Reduced:

FN6O6C41H43 (1)

Stoich.:

AB6C6D41E43 (1)

Weight, g/mol:

734.322811

ΔHf, kcal/mol:

-215.14

Dipole, Da:

5.8

IP(EA), eV:

 -8.59(-0.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-fluoro-5-[(2-methoxybenzoyl)amino]phenyl]-1-[1-[2-[2-methyl-3-(phenylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=C(C=CC(=C4)NC(=O)C5=CC(=CC=C5)OC)F)C(=O)NC6=CC=CC=C6

DOS

IR

Vibrations