Geometry & MOs

Info

ID:

118560

PubChem CID:

50646994

Reduced:

ClF3N4O4C28H32 (1)

Stoich.:

AB3C4D4E28F32 (1)

Weight, g/mol:

736.315139

ΔHf, kcal/mol:

-311.78

Dipole, Da:

6.92

IP(EA), eV:

 -8.85(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-chloro-5-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl]-N-[1-[3-[(2-fluorobenzoyl)amino]-4-methoxyanilino]-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=CC(=C(C=C2)Cl)NC(=O)CN3CCC(CC3)C(=O)NC4=CC=CC=C4OC(F)(F)F

DOS

IR

Vibrations