Geometry & MOs

Info

ID:

114023

PubChem CID:

50468262

Reduced:

F2O5N6C43H48 (1)

Stoich.:

A2B5C6D43E48 (1)

Weight, g/mol:

669.276276

ΔHf, kcal/mol:

-258.28

Dipole, Da:

8.67

IP(EA), eV:

 -8.86(-0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-fluoro-5-[(3-methoxybenzoyl)amino]phenyl]-1-[2-[3-[(5-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)F)NC(=O)C2=C(C(=CC=C2)NC(=O)CN3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=CC=CC(=C4C)C(=O)NCC5=CC=C(C=C5)F)C

DOS

IR

Vibrations