Geometry & MOs

Info

ID:	241100
PubChem CID:	93621877
Reduced:	FNSO4C15H20 (1)
Stoich.:	ABCD4E15F20 (1)
Weight, g/mol:	324.114378
ΔH_f, kcal/mol:	-193.23
Dipole, Da:	6.44
IP(EA), eV:	-9.38(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(4aS,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]sulfonyl]benzamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)S(=O)(=O)N2CCO[C@H]3[C@@H]2CCCC3)F

DOS

IR

Vibrations