Geometry & MOs

Info

ID:

114227

PubChem CID:

50474785

Reduced:

F3N6O6H37C38 (1)

Stoich.:

A3B6C6D37E38 (1)

Weight, g/mol:

730.272667

ΔHf, kcal/mol:

-299.63

Dipole, Da:

5.34

IP(EA), eV:

 -8.69(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[3-[(2,6-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[2-[4-fluoro-3-[(2-methoxybenzoyl)amino]anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NCC(=O)NC3=CC(=C(C=C3)F)NC(=O)C4=CC(=CC=C4)OC)C(=O)NC5=C(C=CC=C5F)F

DOS

IR

Vibrations