Geometry & MOs

Info

ID:	374765
PubChem CID:	131342651
Reduced:	NOCl2F3H6C8 (1)
Stoich.:	ABC2D3E6F8 (1)
Weight, g/mol:	297.96631
ΔH_f, kcal/mol:	-198.89
Dipole, Da:	3.97
IP(EA), eV:	-9.91(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(5-bromo-3-methyl-1-benzothiophen-4-yl)acetate

Drug info:

PubChemData

Smile

CC1=C(N=C(C=C1CCl)Cl)OC(F)(F)F

DOS

IR

Vibrations