Geometry & MOs

Info

ID:	320225
PubChem CID:	126658802
Reduced:	O6C37H44 (1)
Stoich.:	A6B37C44 (1)
Weight, g/mol:	389.995526
ΔH_f, kcal/mol:	-197.64
Dipole, Da:	1.92
IP(EA), eV:	-8.79(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-thieno[3,2-b]thiophen-5-yl-1,3-benzothiazol-6-yl)-1,3-benzoxazole

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1COCCOC(=O)C=C)C)C(C2=CC=CC=C2)C3=C(C=C(C(=C3C)COCCOC(=O)C=C)C)C)C

DOS

IR

Vibrations