Geometry & MOs

Info

ID:

107838

PubChem CID:

50220493

Reduced:

FO5N6C39H47 (1)

Stoich.:

AB5C6D39E47 (1)

Weight, g/mol:

683.19187

ΔHf, kcal/mol:

-233.22

Dipole, Da:

8.43

IP(EA), eV:

 -8.72(-0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)NC(=O)CN2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=CC=C(C=C4)C(=O)NC5=C(C=C(C=C5)C)F)C

DOS

IR

Vibrations