Geometry & MOs

Info

ID:	52352
PubChem CID:	12015192
Reduced:	NSO6C19H21 (1)
Stoich.:	ABC6D19E21 (1)
Weight, g/mol:	405.124609
ΔH_f, kcal/mol:	-206.59
Dipole, Da:	6.29
IP(EA), eV:	-8.81(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 1-(4-methylphenyl)sulfonyl-3,4,7,8-tetrahydro-2H-quinoline-5,6-dicarboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2CCC3C2=CCC(=C3C(=O)OC)C(=O)OC

DOS

IR

Vibrations