Geometry & MOs

Info

ID:

116579

PubChem CID:

50566863

Reduced:

ClFO5N6C34H38 (1)

Stoich.:

ABC5D6E34F38 (1)

Weight, g/mol:

682.360946

ΔHf, kcal/mol:

-223.51

Dipole, Da:

9.85

IP(EA), eV:

 -8.85(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-chloro-3-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl]-N-[3-methyl-1-[4-methyl-3-(2-methylbutanoylamino)anilino]-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=C(C=CC(=C1)NC(=O)CN2CCC(CC2)C(=O)NCC(=O)NC3=C(C=CC(=C3)C(=O)NC4=CC=C(C=C4)F)C)Cl

DOS

IR

Vibrations