Geometry & MOs

Info

ID:	334893
PubChem CID:	127253699
Reduced:	O7H14C20 (1)
Stoich.:	A7B14C20 (1)
Weight, g/mol:	481.140449
ΔH_f, kcal/mol:	-215.39
Dipole, Da:	4.94
IP(EA), eV:	-8.4(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=O)O1)C2=C(OC3=C2C(=O)OC(=C3)C)C4=CC=C(C=C4)O)O

DOS

IR

Vibrations