Geometry & MOs

Info

ID:	396053
PubChem CID:	135027301
Reduced:	O2H18C23 (1)
Stoich.:	A2B18C23 (1)
Weight, g/mol:	359.98196
ΔH_f, kcal/mol:	5.39
Dipole, Da:	2.69
IP(EA), eV:	-9.12(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-bromo-3-(4-methylphenyl)-1-benzothiophene-2-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C1=CC=C(C=C1)C2=CC(C3=CC=CC=C32)C4=CC=CC=C4

DOS

IR

Vibrations