Geometry & MOs

Info

ID:

108877

PubChem CID:

50262732

Reduced:

BrF2O4N5C32H34 (1)

Stoich.:

AB2C4D5E32F34 (1)

Weight, g/mol:

696.263852

ΔHf, kcal/mol:

-218.7

Dipole, Da:

10.58

IP(EA), eV:

 -8.94(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[2-chloro-5-(dimethylcarbamoyl)anilino]-3-oxopropyl]-1-[1-[4-[(2,6-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=C(C=C2)F)F)NC(=O)CN3CCC(CC3)C(=O)NCCC(=O)NC4=CC(=C(C=C4)Br)C

DOS

IR

Vibrations