Geometry & MOs

Info

ID:	334141
PubChem CID:	127252693
Reduced:	SN3O7C25H31 (1)
Stoich.:	AB3C7D25E31 (1)
Weight, g/mol:	457.129215
ΔH_f, kcal/mol:	-206.3
Dipole, Da:	3.69
IP(EA), eV:	-8.66(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,5'R)-7-chloro-3'-[2-(4-hydroxyphenyl)ethylamino]-4,6-dimethoxy-5'-methylspiro[1-benzofuran-2,6'-cyclohex-2-ene]-1',3-dione

Drug info:

PubChemData

Smile

CC1=CC(=O)C(=C(O1)C(CC(=O)NC(CCSC)C2=NC(=NO2)C(C)C)C3=CC(=C(C=C3)O)OC)O

DOS

IR

Vibrations