Geometry & MOs

Info

ID:

97889

PubChem CID:

50036467

Reduced:

F2N6O6C43H48 (1)

Stoich.:

A2B6C6D43E48 (1)

Weight, g/mol:

786.310803

ΔHf, kcal/mol:

-286.2

Dipole, Da:

10.68

IP(EA), eV:

 -8.36(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[3-[(2-chlorobenzoyl)amino]-4-methylanilino]-3-methyl-1-oxobutan-2-yl]-1-[1-[5-[(2,6-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=CC=C2F)F)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=CC(=C(C=C4)C)NC(=O)C5=CC=CC=C5OC

DOS

IR

Vibrations