Geometry & MOs

Info

ID:

113211

PubChem CID:

50434933

Reduced:

F2O5N6C42H46 (1)

Stoich.:

A2B5C6D42E46 (1)

Weight, g/mol:

744.263852

ΔHf, kcal/mol:

-252.05

Dipole, Da:

6.68

IP(EA), eV:

 -8.71(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[3-chloro-4-[(2-methylphenyl)carbamoyl]anilino]-3-oxopropyl]-1-[2-[3-[(2,6-difluorophenyl)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)C(C)N3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=CC=CC(=C4)NC(=O)C5=CC=CC=C5F)C

DOS

IR

Vibrations