Geometry & MOs

Info

ID:

114076

PubChem CID:

50470710

Reduced:

FO5N6C36H43 (1)

Stoich.:

AB5C6D36E43 (1)

Weight, g/mol:

689.1216

ΔHf, kcal/mol:

-231.82

Dipole, Da:

6.78

IP(EA), eV:

 -8.62(-0.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(=O)NC1=C(C=CC(=C1)NC(=O)CCNC(=O)C2CCN(CC2)C(C)C(=O)NC3=CC=CC(=C3C)C(=O)NC4=CC=CC=C4C)F

DOS

IR

Vibrations