Geometry & MOs

Info

ID:	413248
PubChem CID:	135086195
Reduced:	ClNO3H14C19 (1)
Stoich.:	ABC3D14E19 (1)
Weight, g/mol:	309.045964
ΔH_f, kcal/mol:	-48.58
Dipole, Da:	2.35
IP(EA), eV:	-8.96(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(benzenesulfonyl)-3-ethynylindole-2-carbaldehyde

Drug info:

PubChemData

Smile

COC(=O)/C(=C\C1=CC=C(C=C1)Cl)/C2=C(C3=CC=CC=C3N2)C=O

DOS

IR

Vibrations