Geometry & MOs

Info

ID:

296777

PubChem CID:

117592314

Reduced:

Cl2N2O3C33H36 (1)

Stoich.:

A2B2C3D33E36 (1)

Weight, g/mol:

805.342189

ΔHf, kcal/mol:

-81.72

Dipole, Da:

10.04

IP(EA), eV:

 -7.98(-0.98)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4-acetamidophenyl) 2-hydroxybenzoate;[3-[(3-formamido-2-hydroxybenzoyl)amino]-2,6-dimethyl-4,9-dioxo-8-pentyl-1,5-dioxonan-7-yl] 3-methylbutanoate

Drug info:

PubChemData

Smile

CN(C)CCCN1C2=CC=CC=C2CCC3=C1C=C(C=C3)Cl.COC1=CC(=C(C=C1)C(=O)C2=CC=CC=C2)O.Cl

DOS

IR

Vibrations