Geometry & MOs

Info

ID:	413247
PubChem CID:	135086194
Reduced:	ClSO3H13C15 (1)
Stoich.:	ABC3D13E15 (1)
Weight, g/mol:	339.066221
ΔH_f, kcal/mol:	-71.74
Dipole, Da:	7.82
IP(EA), eV:	-9.54(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (Z)-3-(4-chlorophenyl)-2-(3-formyl-1H-indol-2-yl)prop-2-enoate

Drug info:

PubChemData

Smile

CC(C(=O)C1=CC=CC=C1Cl)S(=O)(=O)C2=CC=CC=C2

DOS

IR

Vibrations