Geometry & MOs

Info

ID:	306822
PubChem CID:	125258680
Reduced:	SN2O2C14H20 (1)
Stoich.:	AB2C2D14E20 (1)
Weight, g/mol:	300.125612
ΔH_f, kcal/mol:	-64.65
Dipole, Da:	4.6
IP(EA), eV:	-9.03(0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aR,7S,7aS)-4-methylsulfonyl-7-[(5-methyltriazol-1-yl)methyl]-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine

Drug info:

PubChemData

Smile

CS(=O)(=O)N1CC[C@@H]2[C@H]1CCN2CC3=CC=CC=C3

DOS

IR

Vibrations