Geometry & MOs

Info

ID:

109457

PubChem CID:

50284812

Reduced:

ClFO5N6C39H48 (1)

Stoich.:

ABC5D6E39F48 (1)

Weight, g/mol:

720.343547

ΔHf, kcal/mol:

-244.31

Dipole, Da:

4.71

IP(EA), eV:

 -8.73(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=C(C=CC(=C1)NC(=O)C(C(C)C)NC(=O)C2CCN(CC2)CC(=O)NC3=C(C=C(C=C3)C(=O)NC4=C(C=C(C=C4)C)F)C)Cl

DOS

IR

Vibrations