Geometry & MOs

Info

ID:	402353
PubChem CID:	135055659
Reduced:	N2S2O4C25H28 (1)
Stoich.:	A2B2C4D25E28 (1)
Weight, g/mol:	419.140259
ΔH_f, kcal/mol:	-37.35
Dipole, Da:	7.73
IP(EA), eV:	-9.31(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl (5S,6S)-4,7-dimethyl-2-(4-methylphenyl)sulfonyl-1,3,5,6-tetrahydroisoindole-5,6-dicarboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2CC3CC4(C2)CN(CC4=CC3=C)S(=O)(=O)C5=CC=C(C=C5)C

DOS

IR

Vibrations