Geometry & MOs

Info

ID:

97946

PubChem CID:

50037185

Reduced:

F4O5N6C42H44 (1)

Stoich.:

A4B5C6D42E44 (1)

Weight, g/mol:

669.17622

ΔHf, kcal/mol:

-332.76

Dipole, Da:

6.15

IP(EA), eV:

 -9.07(-0.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(4-bromo-3-methylanilino)-2-oxoethyl]-1-[1-[5-[(2,5-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(=O)NC2=C(C=CC=C2F)F)NC(=O)C(C(C)C)NC(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=CC(=C4)C(=O)NC5=C(C=CC=C5F)F)C

DOS

IR

Vibrations