Geometry & MOs

Info

ID:

113395

PubChem CID:

50442752

Reduced:

ClFO5N6C38H46 (1)

Stoich.:

ABC5D6E38F46 (1)

Weight, g/mol:

754.304574

ΔHf, kcal/mol:

-240.63

Dipole, Da:

4.45

IP(EA), eV:

 -8.89(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-[(2-chlorobenzoyl)amino]-3-methylanilino]-1-oxopropan-2-yl]-1-[1-[3-[(4-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=C(C=C1)Cl)NC(=O)C(C)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=CC=CC(=C3C)C(=O)NC4=C(C=C(C=C4)F)C

DOS

IR

Vibrations