Geometry & MOs

Info

ID:

116837

PubChem CID:

50577458

Reduced:

ClFN5O5C36H41 (1)

Stoich.:

ABC5D5E36F41 (1)

Weight, g/mol:

611.251062

ΔHf, kcal/mol:

-215.67

Dipole, Da:

5.44

IP(EA), eV:

 -8.75(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-chloro-3-(cyclohexylcarbamoyl)anilino]-2-oxoethyl]-N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=C(C=CC(=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=C(C=CC(=C4)NC(=O)C5=CC=C(C=C5)OC)F)Cl

DOS

IR

Vibrations