Geometry & MOs

Info

ID:	142124
PubChem CID:	52985593
Reduced:	SN3O4H19C20 (1)
Stoich.:	AB3C4D19E20 (1)
Weight, g/mol:	273.172879
ΔH_f, kcal/mol:	-108.02
Dipole, Da:	6.49
IP(EA), eV:	-9.46(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN2C(CN(CC2=O)S(=O)(=O)C3=CC4=C(C=C3)NC(=O)C4)C5=CC=CC=C51

DOS

IR

Vibrations