Geometry & MOs

Info

ID:	374502
PubChem CID:	131330564
Reduced:	O3F4H6C9 (1)
Stoich.:	A3B4C6D9 (1)
Weight, g/mol:	255.012077
ΔH_f, kcal/mol:	-305.23
Dipole, Da:	7.3
IP(EA), eV:	-10.25(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-amino-7-(chloromethyl)-1-benzothiophene-5-carboxylate

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1C(F)(F)F)C(=O)O)F

DOS

IR

Vibrations