Geometry & MOs

Info

ID:	51949
PubChem CID:	12014720
Reduced:	SO3C23H28 (1)
Stoich.:	AB3C23D28 (1)
Weight, g/mol:	340.149701
ΔH_f, kcal/mol:	-109.34
Dipole, Da:	4.96
IP(EA), eV:	-8.83(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aS,10bS)-4,4-dimethyl-7-phenylmethoxy-4a,5,6,10b-tetrahydrobenzo[h][1,3]benzoxathiine

Drug info:

PubChemData

Smile

CC([C@@H]1O[C@H]2[C@H](CCC3=C2C=CC=C3OCC4=CC=CC=C4)C(S1)(C)C)O

DOS

IR

Vibrations