Geometry & MOs

Info

ID:	53444
PubChem CID:	14716033
Reduced:	NSO2C20H23 (1)
Stoich.:	ABC2D20E23 (1)
Weight, g/mol:	339.1293
ΔH_f, kcal/mol:	-44.44
Dipole, Da:	3.9
IP(EA), eV:	-8.75(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-phenyl-8-phenylsulfanyl-4,6,7,8,9,9a-hexahydro-3H-pyrido[2,1-c][1,4]oxazin-1-one

Drug info:

PubChemData

Smile

C1CN2C(CC1SC3=CC=CC=C3)C(OCC2C4=CC=CC=C4)O

DOS

IR

Vibrations