Geometry & MOs

Info

ID:

111029

PubChem CID:

50348814

Reduced:

F2O5N6C40H46 (1)

Stoich.:

A2B5C6D40E46 (1)

Weight, g/mol:

674.298346

ΔHf, kcal/mol:

-261.28

Dipole, Da:

7.3

IP(EA), eV:

 -8.79(-1.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[3-chloro-4-[(2-methylphenyl)carbamoyl]anilino]-2-oxoethyl]-1-[1-[2-methyl-3-(propylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=C(C(=CC=C2)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC=C(C=C5)C(=O)NC6=CC(=C(C=C6)F)F)C

DOS

IR

Vibrations