Geometry & MOs

Info

ID:	308462
PubChem CID:	125333170
Reduced:	SO2N5C23H31 (1)
Stoich.:	AB2C5D23E31 (1)
Weight, g/mol:	409.225308
ΔH_f, kcal/mol:	-21.44
Dipole, Da:	5.31
IP(EA), eV:	-8.8(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-oxolan-2-yl]methyl (2S,6R)-6-(4-tert-butylphenyl)-3-methyl-4-oxo-2,5,6,7-tetrahydroindole-2-carboxylate

Drug info:

PubChemData

Smile

CCCCC[C@@H]1NN=C(S1)NC(=O)[C@@H]2CC(=O)N(C2)CCC3=C4C=C(C=CC4=NC3)C

DOS

IR

Vibrations