Geometry & MOs

Info

ID:

109329

PubChem CID:

50280494

Reduced:

FO5N6C43H49 (1)

Stoich.:

AB5C6D43E49 (1)

Weight, g/mol:

632.251396

ΔHf, kcal/mol:

-218.01

Dipole, Da:

10.46

IP(EA), eV:

 -8.65(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(5-carbamoyl-2-chloroanilino)-2-oxoethyl]-1-[1-[2-methyl-4-[(2-methylphenyl)carbamoyl]anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(=O)NC2=C(C=CC(=C2)NC(=O)C(C(C)C)NC(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=C(C=C4)C(=O)NC5=CC(=CC=C5)F)C)C

DOS

IR

Vibrations