Geometry & MOs

Info

ID:	373737
PubChem CID:	131319489
Reduced:	BrClNO2H7C8 (1)
Stoich.:	ABCD2E7F8 (1)
Weight, g/mol:	257.993985
ΔH_f, kcal/mol:	-74.35
Dipole, Da:	3.66
IP(EA), eV:	-10.19(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(chloromethyl)-5-methoxy-7-methylsulfanyl-1-benzothiophene

Drug info:

PubChemData

Smile

CC(=O)OCC1=C(C=CN=C1Br)Cl

DOS

IR

Vibrations