Geometry & MOs

Info

ID:	374505
PubChem CID:	131330582
Reduced:	BrClNH7C10 (1)
Stoich.:	ABCD7E10 (1)
Weight, g/mol:	255.012077
ΔH_f, kcal/mol:	57.55
Dipole, Da:	3.46
IP(EA), eV:	-9.88(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-amino-3-(chloromethyl)-1-benzothiophene-6-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=C(CBr)Cl)C#N

DOS

IR

Vibrations