Geometry & MOs

Info

ID:

97418

PubChem CID:

50031492

Reduced:

F3O4N5C38H38 (1)

Stoich.:

A3B4C5D38E38 (1)

Weight, g/mol:

689.262517

ΔHf, kcal/mol:

-234.75

Dipole, Da:

10.21

IP(EA), eV:

 -8.97(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-[(2,6-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-N-[4-[(2,4-difluorophenyl)carbamoyl]-2-methylphenyl]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)NC4=C(C=C(C=C4)C(=O)NCC5=CC=C(C=C5)F)C

DOS

IR

Vibrations