Geometry & MOs

Info

ID:	344904
PubChem CID:	127268664
Reduced:	NS2O4C17H21 (1)
Stoich.:	AB2C4D17E21 (1)
Weight, g/mol:	261.139865
ΔH_f, kcal/mol:	-133.11
Dipole, Da:	7.41
IP(EA), eV:	-9.14(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-methylpropylsulfonyl)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine

Drug info:

PubChemData

Smile

CN(CC1=CC=CC2=CC=CC=C21)S(=O)(=O)C3CCS(=O)(=O)CC3

DOS

IR

Vibrations