Geometry & MOs

Info

ID:

114508

PubChem CID:

50485599

Reduced:

ClFO5N6C38H46 (1)

Stoich.:

ABC5D6E38F46 (1)

Weight, g/mol:

682.248202

ΔHf, kcal/mol:

-235.83

Dipole, Da:

6.74

IP(EA), eV:

 -8.67(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(2-carbamoyl-5-chloroanilino)-3-methyl-1-oxobutan-2-yl]-1-[2-[3-[(3,4-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations