Geometry & MOs

Info

ID:	175363
PubChem CID:	75889703
Reduced:	S2N3O6C13H17 (1)
Stoich.:	A2B3C6D13E17 (1)
Weight, g/mol:	434.097014
ΔH_f, kcal/mol:	-228.6
Dipole, Da:	4.17
IP(EA), eV:	-9.1(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-3-(1,3,3-trimethylindol-2-ylidene)propyl] 3-(methanesulfonamido)thiophene-2-carboxylate

Drug info:

PubChemData

Smile

CN1C(CC(=O)N(C1=O)C)COC(=O)C2=C(C=CS2)NS(=O)(=O)C

DOS

IR

Vibrations