Geometry & MOs

Info

ID:

108429

PubChem CID:

50244536

Reduced:

BrF2O4N5C35H38 (1)

Stoich.:

AB2C4D5E35F38 (1)

Weight, g/mol:

641.221653

ΔHf, kcal/mol:

-218.6

Dipole, Da:

4.41

IP(EA), eV:

 -8.76(-0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=C(C=C(C=C2)F)F)NC(=O)C(C)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC(=C(C=C5)Br)C

DOS

IR

Vibrations