Geometry & MOs

Info

ID:	306824
PubChem CID:	125258685
Reduced:	NSO2C7H11 (2)
Stoich.:	ABC2D7E11 (2)
Weight, g/mol:	342.104956
ΔH_f, kcal/mol:	-157.11
Dipole, Da:	8.37
IP(EA), eV:	-9.69(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aR,7R,7aS)-4-cyclopropylsulfonyl-7-(3-fluoropyridin-2-yl)oxy-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine

Drug info:

PubChemData

Smile

CCS(=O)(=O)N1CC[C@H]([C@H]1CC2=CC=CC=C2)NS(=O)(=O)C

DOS

IR

Vibrations