Geometry & MOs

Info

ID:

112324

PubChem CID:

50402357

Reduced:

ClF2O5N6C41H47 (1)

Stoich.:

AB2C5D6E41F47 (1)

Weight, g/mol:

712.374847

ΔHf, kcal/mol:

-284.88

Dipole, Da:

3.62

IP(EA), eV:

 -8.64(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[3-[(4-fluorophenyl)methylcarbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-N-[2-[2-methyl-5-(4-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=CC(=C(C=C4)Cl)NC(=O)C5CCCCC5)C(=O)NC6=C(C=CC(=C6)F)F

DOS

IR

Vibrations