Geometry & MOs

Info

ID:

334693

PubChem CID:

127253368

Reduced:

SN5O7C39H43 (1)

Stoich.:

AB5C7D39E43 (1)

Weight, g/mol:

529.113959

ΔHf, kcal/mol:

-146.64

Dipole, Da:

5.25

IP(EA), eV:

 -7.89(-0.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC[C@@H](C)[C@@H](C(=O)NC1=NC(=CS1)C2=CNC3=C2C=C(C=C3)OC)NC4=CC=C5C(=CC4=O)[C@H](CCC6=CC(=C(C(=C65)OC)OC)OC)NC(=O)C

DOS

IR

Vibrations