Geometry & MOs

Info

ID:	406990
PubChem CID:	135079082
Reduced:	SSiN2O9C29H36 (1)
Stoich.:	ABC2D9E29F36 (1)
Weight, g/mol:	314.097666
ΔH_f, kcal/mol:	-286.8
Dipole, Da:	11.39
IP(EA), eV:	-9.02(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-methyl-3,4-dihydronaphthalen-2-yl) 4-methylbenzenesulfonate

Drug info:

PubChemData

Smile

CC[Si](CC)(CC)O[C@H](C)[C@@H]1[C@H]2CC(=C(N2C1=O)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])OS(=O)(=O)C4=CC=C(C=C4)C

DOS

IR

Vibrations