Geometry & MOs

Info

ID:	413769
PubChem CID:	135086719
Reduced:	ClSN2O2H15C18 (1)
Stoich.:	ABC2D2E15F18 (1)
Weight, g/mol:	344.173607
ΔH_f, kcal/mol:	-5.7
Dipole, Da:	3.02
IP(EA), eV:	-9.47(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[(E)-1-(dimethylamino)-3-ethoxy-3-oxoprop-1-en-2-yl]-1-methylindole-2-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2C3=CC(=NC=C3)Cl

DOS

IR

Vibrations