Geometry & MOs

Info

ID:

178829

PubChem CID:

76386464

Reduced:

ClFSN2O3C42H44 (1)

Stoich.:

ABCD2E3F42G44 (1)

Weight, g/mol:

529.20603

ΔHf, kcal/mol:

-80.01

Dipole, Da:

1.97

IP(EA), eV:

 -9.3(-1.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[6-amino-8,9-dihydroxy-7-[3-(2-hydroxyacetyl)anilino]-4,9-dimethyl-2-oxo-3-oxa-1-azaspiro[4.4]nonan-8-yl]methyl 2-hydroxy-6-methylbenzoate

Drug info:

PubChemData

Smile

CC(C)(C1=CC=CC=C1CCC(C2=CC=CC(=C2)C=CC3=NC4=C(C=CC(=C4)Cl)C=C3)SCC5(CC5)CC(=O)O)O.C1=CC(=CC=C1CN)F

DOS

IR

Vibrations