Geometry & MOs

Info

ID:	25581
PubChem CID:	626840
Reduced:	Cl2N2S2H24C33 (1)
Stoich.:	A2B2C2D24E33 (1)
Weight, g/mol:	298.084124
ΔH_f, kcal/mol:	144.15
Dipole, Da:	2.77
IP(EA), eV:	-8.55(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6,7-dimethoxy-3'-phenylspiro[1-benzofuran-2,2'-oxirane]-3-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=NCCCN=C3C=C(SC4=C3C=C(C=C4)Cl)C5=CC=CC=C5)C6=C(S2)C=CC(=C6)Cl

DOS

IR

Vibrations