Geometry & MOs

Info

ID:	380744
PubChem CID:	134971275
Reduced:	NSO5C11H13 (1)
Stoich.:	ABC5D11E13 (1)
Weight, g/mol:	338.115424
ΔH_f, kcal/mol:	-92.67
Dipole, Da:	4.49
IP(EA), eV:	-8.92(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3R)-3-benzoyloxy-2-methyl-3,4-dihydro-2H-pyran-4-yl] benzoate

Drug info:

PubChemData

Smile

CC(C1=CC2=C(C=C1[N+](=O)[O-])OCO2)OCSC

DOS

IR

Vibrations