Geometry & MOs

Info

ID:

113266

PubChem CID:

50437443

Reduced:

F4N4O4H28C29 (1)

Stoich.:

A4B4C4D28E29 (1)

Weight, g/mol:

651.18565

ΔHf, kcal/mol:

-318.94

Dipole, Da:

8.45

IP(EA), eV:

 -8.9(-0.95)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(2-bromoanilino)-2-oxoethyl]-1-[1-[3-[(4-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NC3=CC=CC=C3OC(F)(F)F)C(=O)NC4=CC=C(C=C4)F

DOS

IR

Vibrations