Geometry & MOs

Info

ID:	241080
PubChem CID:	93621578
Reduced:	SN2O3C17H20 (1)
Stoich.:	AB2C3D17E20 (1)
Weight, g/mol:	323.119129
ΔH_f, kcal/mol:	-114.2
Dipole, Da:	4.46
IP(EA), eV:	-8.96(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(4aS,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-(4-methylsulfonylphenyl)methanone

Drug info:

PubChemData

Smile

C1CC[C@@H]2[C@H](C1)N(CCO2)C(=O)C3=CC4=C(C=C3)SCC(=O)N4

DOS

IR

Vibrations