Geometry & MOs

Info

ID:	402354
PubChem CID:	135055662
Reduced:	NSO6C21H25 (1)
Stoich.:	ABC6D21E25 (1)
Weight, g/mol:	380.147118
ΔH_f, kcal/mol:	-221.66
Dipole, Da:	7.7
IP(EA), eV:	-9.05(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tetramethyl (5S,6S)-4,7-dimethyl-1,3,5,6-tetrahydroindene-2,2,5,6-tetracarboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2CC3=C([C@H]([C@@H](C(=C3C2)C)C(=O)OC)C(=O)OC)C

DOS

IR

Vibrations