Geometry & MOs

Info

ID:	396825
PubChem CID:	135029282
Reduced:	O5H16C17 (1)
Stoich.:	A5B16C17 (1)
Weight, g/mol:	197.05105
ΔH_f, kcal/mol:	-159.69
Dipole, Da:	4.85
IP(EA), eV:	-9.77(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-4lambda6-thia-7-azatetracyclo[6.2.1.02,6.02,7]undec-9-ene 4,4-dioxide

Drug info:

PubChemData

Smile

COC(=O)[C@H]([C@@H](C1=CC=CC=C1)OC(=O)C2=CC=CC=C2)O

DOS

IR

Vibrations