Geometry & MOs

Info

ID:	382430
PubChem CID:	134973574
Reduced:	SN2O4C10H12 (1)
Stoich.:	AB2C4D10E12 (1)
Weight, g/mol:	332.087101
ΔH_f, kcal/mol:	-121.34
Dipole, Da:	1.6
IP(EA), eV:	-8.4(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-phenyl-6-phenylmethoxy-1,4-benzoxathiine

Drug info:

PubChemData

Smile

CNC1=CC=C2N(C1=O)[C@@H](C[S@]2=O)C(=O)OC

DOS

IR

Vibrations