Geometry & MOs

Info

ID:

99409

PubChem CID:

50050654

Reduced:

F3N6O6C40H41 (1)

Stoich.:

A3B6C6D40E41 (1)

Weight, g/mol:

666.277753

ΔHf, kcal/mol:

-315.82

Dipole, Da:

11.03

IP(EA), eV:

 -8.65(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(5-acetamido-2-fluoroanilino)-1-oxopropan-2-yl]-1-[1-[5-[(2,4-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=C(C=C2)F)F)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C)C(=O)NC4=C(C=CC(=C4)NC(=O)C5=CC=CC=C5OC)F

DOS

IR

Vibrations