Geometry & MOs

Info

ID:

99900

PubChem CID:

50056093

Reduced:

F3N6O6C41H43 (1)

Stoich.:

A3B6C6D41E43 (1)

Weight, g/mol:

760.299631

ΔHf, kcal/mol:

-309.88

Dipole, Da:

14.02

IP(EA), eV:

 -8.81(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-[(2,6-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[1-[4-fluoro-3-[(2-fluorobenzoyl)amino]anilino]-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC=C2F)F)NC(=O)CN3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=CC(=C(C=C4)F)NC(=O)C5=CC=C(C=C5)OC

DOS

IR

Vibrations