Geometry & MOs

Info

ID:	398361
PubChem CID:	135032956
Reduced:	INO2H10C11 (1)
Stoich.:	ABC2D10E11 (1)
Weight, g/mol:	412.080301
ΔH_f, kcal/mol:	-23.01
Dipole, Da:	1.81
IP(EA), eV:	-9.98(-1.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1,4-bis(benzenesulfonyl)tricyclo[5.2.1.02,6]deca-3,8-diene

Drug info:

PubChemData

Smile

CC(=O)O[C@H](C1=CC=CC=C1)[C@H](C#N)I

DOS

IR

Vibrations