Geometry & MOs

Info

ID:	52351
PubChem CID:	12015191
Reduced:	NSO2C16H21 (1)
Stoich.:	ABC2D16E21 (1)
Weight, g/mol:	391.108959
ΔH_f, kcal/mol:	-51.49
Dipole, Da:	6.48
IP(EA), eV:	-8.44(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 1-(4-methylphenyl)sulfonyl-2,3,3a,6-tetrahydroindole-4,5-dicarboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2CC(CC=C2C=C)(C)C

DOS

IR

Vibrations