Geometry & MOs

Info

ID:	308323
PubChem CID:	125326153
Reduced:	SO3N5C13H19 (1)
Stoich.:	AB3C5D13E19 (1)
Weight, g/mol:	303.066221
ΔH_f, kcal/mol:	-67.44
Dipole, Da:	8.95
IP(EA), eV:	-8.95(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,6R)-6-(2-chlorophenyl)-3-methyl-4-oxo-2,5,6,7-tetrahydroindole-2-carboxylic acid

Drug info:

PubChemData

Smile

C[C@H]1[C@@H](N2C(=NC1=O)NN=C2SCC(=O)N3CCOCC3)C

DOS

IR

Vibrations