Geometry & MOs

Info

ID:	398996
PubChem CID:	135036829
Reduced:	NO4C15H19 (1)
Stoich.:	AB4C15D19 (1)
Weight, g/mol:	220.128572
ΔH_f, kcal/mol:	-142.73
Dipole, Da:	4.78
IP(EA), eV:	-9.54(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aR,8aR)-5,5-dimethyl-4a,6,7,8,8a,9-hexahydro-4H-benzo[f][1]benzothiole

Drug info:

PubChemData

Smile

CC1(O[C@H]([C@H](O1)C(=O)N(C)C)C(=O)C2=CC=CC=C2)C

DOS

IR

Vibrations