Geometry & MOs

Info

ID:	241078
PubChem CID:	93621564
Reduced:	SN2O3C16H18 (1)
Stoich.:	AB2C3D16E18 (1)
Weight, g/mol:	332.119464
ΔH_f, kcal/mol:	-63.19
Dipole, Da:	3.44
IP(EA), eV:	-9.22(-1.31)
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]-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methanone

Drug info:

PubChemData

Smile

C1CC[C@@H]2[C@@H](C1)N(CCO2)C(=O)C3=CSC(=N3)C4=CC=CO4

DOS

IR

Vibrations