Geometry & MOs

Info

ID:

113948

PubChem CID:

50465855

Reduced:

ClFO5N6C38H44 (1)

Stoich.:

ABC5D6E38F44 (1)

Weight, g/mol:

720.343547

ΔHf, kcal/mol:

-233.82

Dipole, Da:

3.19

IP(EA), eV:

 -8.98(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[3-[(3-fluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-N-[1-[3-methyl-4-[(3-methylbenzoyl)amino]anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NC(C)C(=O)NC3=C(C=CC(=C3)C(=O)N4CCCCC4)Cl)C(=O)NC5=CC(=CC=C5)F

DOS

IR

Vibrations