Geometry & MOs

Info

ID:	38271
PubChem CID:	8028637
Reduced:	Cl2N2S2O3H14C15 (1)
Stoich.:	A2B2C2D3E14F15 (1)
Weight, g/mol:	391.124215
ΔH_f, kcal/mol:	-73.19
Dipole, Da:	3.42
IP(EA), eV:	-9.7(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-1-[(2,4-dimethylphenyl)methyl]-3-hydroxy-3-(2-oxo-2-thiophen-2-ylethyl)indol-2-one

Drug info:

PubChemData

Smile

C1CC1C(=O)N=C2N([C@@H]3CS(=O)(=O)C[C@H]3S2)C4=C(C=CC=C4Cl)Cl

DOS

IR

Vibrations