Geometry & MOs

Info

ID:	409993
PubChem CID:	135082780
Reduced:	NSO2C15H18 (1)
Stoich.:	ABC2D15E18 (1)
Weight, g/mol:	425.02
ΔH_f, kcal/mol:	-45.86
Dipole, Da:	5.33
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.759344
Charge, e:	0

Chem-info

IUPAC name:

phenyl (1E)-1-(benzenesulfonyl)-N-(oxan-2-yloxy)methanimidoselenoate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=CSC(=[N+]3CCCCC3)O2

DOS

IR

Vibrations