Geometry & MOs

Info

ID:	323281
PubChem CID:	126673976
Reduced:	PC9O10H15 (1)
Stoich.:	AB9C10D15 (1)
Weight, g/mol:	313.077265
ΔH_f, kcal/mol:	-520.51
Dipole, Da:	2.45
IP(EA), eV:	-11.09(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-methylphenyl)sulfonyl-3-phenyloxazine

Drug info:

PubChemData

Smile

C(CO)C(=O)OP(=O)(OC(=O)CCO)OC(=O)CCO

DOS

IR

Vibrations