Geometry & MOs

Info

ID:	216286
PubChem CID:	85085989
Reduced:	NOSC14H19 (1)
Stoich.:	ABCD14E19 (1)
Weight, g/mol:	250.084124
ΔH_f, kcal/mol:	-21.12
Dipole, Da:	0.54
IP(EA), eV:	-8.58(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[3-(hydroxymethyl)-4-oxooxetan-2-yl]ethyl]benzoic acid

Drug info:

PubChemData

Smile

CC(C)(C)C1COC(=N1)CSC2=CC=CC=C2

DOS

IR

Vibrations