Geometry & MOs

Info

ID:	401601
PubChem CID:	135051810
Reduced:	ClN3O5C18H24 (1)
Stoich.:	AB3C5D18E24 (1)
Weight, g/mol:	280.038043
ΔH_f, kcal/mol:	-187.62
Dipole, Da:	6.37
IP(EA), eV:	-8.45(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-benzothiophen-3-ylmethyl)-1-benzothiophene

Drug info:

PubChemData

Smile

CCOC(=O)C(CC/C=N/NC1=CC=CC=C1Cl)(C(=O)OCC)NC(=O)C

DOS

IR

Vibrations