Geometry & MOs

Info

ID:

109357

PubChem CID:

50281609

Reduced:

ClFO4N5C35H39 (1)

Stoich.:

ABC4D5E35F39 (1)

Weight, g/mol:

666.352969

ΔHf, kcal/mol:

-189.88

Dipole, Da:

7.83

IP(EA), eV:

 -8.96(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-methyl-4-[(2-methylphenyl)carbamoyl]anilino]-1-oxopropan-2-yl]-N-[2-[2-methyl-6-(pyrrolidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=CC(=CC=C2)F)NC(=O)C(C)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=C(C(=CC=C5)Cl)C

DOS

IR

Vibrations