Geometry & MOs

Info

ID:

109007

PubChem CID:

50268367

Reduced:

F2O5N6C41H44 (1)

Stoich.:

A2B5C6D41E44 (1)

Weight, g/mol:

742.309053

ΔHf, kcal/mol:

-244.86

Dipole, Da:

3.06

IP(EA), eV:

 -8.75(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[2-[(2,5-difluorophenyl)carbamoyl]-6-methylanilino]-1-oxopropan-2-yl]-1-[2-[4-[(2-fluoro-4-methylphenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C2=CC(=C(C=C2)NC(=O)CN3CCC(CC3)C(=O)NC(C)C(=O)NC4=C(C=CC=C4C(=O)NCC5=CC=C(C=C5)F)C)C)F

DOS

IR

Vibrations