Geometry & MOs

Info

ID:	380940
PubChem CID:	134971547
Reduced:	NP2O6C22H33 (1)
Stoich.:	AB2C6D22E33 (1)
Weight, g/mol:	400.134445
ΔH_f, kcal/mol:	-357.49
Dipole, Da:	1.05
IP(EA), eV:	-9.1(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(4R,6S)-3-benzoyloxy-6-ethylsulfanyl-2-methyloxan-4-yl] benzoate

Drug info:

PubChemData

Smile

CCOP(=O)([C@H](C1=CC=CC=C1)NC(C2=CC=CC=C2)P(=O)(OCC)OCC)OCC

DOS

IR

Vibrations