Geometry & MOs

Info

ID:

101189

PubChem CID:

50064448

Reduced:

ClFO5N6C43H48 (1)

Stoich.:

ABC5D6E43F48 (1)

Weight, g/mol:

762.390497

ΔHf, kcal/mol:

-220.79

Dipole, Da:

3.14

IP(EA), eV:

 -8.53(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-[(2-fluoro-4-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-N-[3-methyl-1-[4-methyl-3-[(4-methylbenzoyl)amino]anilino]-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C2=CC(=C(C=C2)C)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=CC(=C(C=C4)C)NC(=O)C5=CC=C(C=C5)Cl)F

DOS

IR

Vibrations