Geometry & MOs

Info

ID:

99689

PubChem CID:

50054151

Reduced:

FO5N6C38H45 (1)

Stoich.:

AB5C6D38E45 (1)

Weight, g/mol:

726.19769

ΔHf, kcal/mol:

-237.05

Dipole, Da:

7.04

IP(EA), eV:

 -8.75(-0.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=C(C=C2)F)C)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC(=CC=C5)NC(=O)C(C)C

DOS

IR

Vibrations