Geometry & MOs

Info

ID:

114498

PubChem CID:

50484901

Reduced:

F3O5N6H37C38 (1)

Stoich.:

A3B5C6D37E38 (1)

Weight, g/mol:

669.276276

ΔHf, kcal/mol:

-272.04

Dipole, Da:

5.09

IP(EA), eV:

 -8.96(-0.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-fluoro-5-[(4-methoxybenzoyl)amino]phenyl]-1-[1-[3-[(4-fluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NCC(=O)NC3=CC=CC(=C3)C(=O)NC4=CC(=C(C=C4)F)F)C(=O)NC5=CC=C(C=C5)F

DOS

IR

Vibrations