Geometry & MOs

Info

ID:	345206
PubChem CID:	127268966
Reduced:	SN3O4C17H27 (1)
Stoich.:	AB3C4D17E27 (1)
Weight, g/mol:	390.141342
ΔH_f, kcal/mol:	-199.65
Dipole, Da:	3.26
IP(EA), eV:	-8.73(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methylsulfanyl]ethanone

Drug info:

PubChemData

Smile

CC1(C(=O)N(C(=O)N1)CCSCC(=O)N2CCOC3C2CCCC3)C

DOS

IR

Vibrations