Geometry & MOs

Info

ID:

334222

PubChem CID:

127252774

Reduced:

N3O8C33H39 (1)

Stoich.:

A3B8C33D39 (1)

Weight, g/mol:

575.05877

ΔHf, kcal/mol:

-297.78

Dipole, Da:

10.2

IP(EA), eV:

 -8.59(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[(2S,5'R)-7-chloro-4,6-dimethoxy-5'-methyl-3,3'-dioxospiro[1-benzofuran-2,4'-cyclohexene]-1'-yl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide

Drug info:

PubChemData

Smile

CC1=CC(=O)C(=C(O1)C(CC(=O)NCCCCCC(=O)N2C[C@H]3C[C@@H](C2)C4=CC=CC(=O)N4C3)C5=CC(=C(C=C5)O)OC)O

DOS

IR

Vibrations