Geometry & MOs

Info

ID:	246149
PubChem CID:	103046653
Reduced:	ClFSO4C10H10 (1)
Stoich.:	ABCD4E10F10 (1)
Weight, g/mol:	303.046235
ΔH_f, kcal/mol:	-208.86
Dipole, Da:	3.3
IP(EA), eV:	-9.88(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(5-chloro-2-fluorophenyl)methyl]indole-5-carboxylic acid

Drug info:

PubChemData

Smile

CC(C(=O)O)S(=O)(=O)CC1=C(C=CC(=C1)Cl)F

DOS

IR

Vibrations