Geometry & MOs

Info

ID:

113785

PubChem CID:

50458312

Reduced:

ClF2O5N6C37H43 (1)

Stoich.:

AB2C5D6E37F43 (1)

Weight, g/mol:

658.327897

ΔHf, kcal/mol:

-263.39

Dipole, Da:

5.58

IP(EA), eV:

 -8.99(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[3-[(4-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[2-[4-methyl-3-(2-methylpropanoylamino)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=C(C=CC(=C3)C(=O)N(C)C)Cl)C(=O)NC4=C(C=CC=C4F)F

DOS

IR

Vibrations