Geometry & MOs

Info

ID:	385964
PubChem CID:	134980417
Reduced:	SN2O8C19H28 (1)
Stoich.:	AB2C8D19E28 (1)
Weight, g/mol:	313.167794
ΔH_f, kcal/mol:	-290.17
Dipole, Da:	6.23
IP(EA), eV:	-9.31(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S)-1-[(1S)-3,4-dimethylcyclohex-3-ene-1-carbonyl]-2,3-dihydroindole-2-carboxylate

Drug info:

PubChemData

Smile

CC1=C[C@@H]([C@](CC1)(C)C(=O)OC)N(N(C(=O)OCC=C)C(=O)OCC=C)S(=O)(=O)C

DOS

IR

Vibrations