Geometry & MOs

Info

ID:	373707
PubChem CID:	131319025
Reduced:	FSO2H11C12 (1)
Stoich.:	ABC2D11E12 (1)
Weight, g/mol:	284.98007
ΔH_f, kcal/mol:	-112.99
Dipole, Da:	6.11
IP(EA), eV:	-9.22(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-bromo-7-fluoro-1-methylindole-2-carboxylate

Drug info:

PubChemData

Smile

CCC1=CC(=C2C=C(SC2=C1)CC(=O)O)F

DOS

IR

Vibrations