Geometry & MOs

Info

ID:	404285
PubChem CID:	135065750
Reduced:	PO4C11H17 (1)
Stoich.:	AB4C11D17 (1)
Weight, g/mol:	317.056923
ΔH_f, kcal/mol:	-217.29
Dipole, Da:	4.97
IP(EA), eV:	-9.29(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[(2S)-2-hydroxy-2-(4-nitrophenyl)ethyl]sulfonylacetate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)[C@H](CP(=O)(OC)OC)O

DOS

IR

Vibrations