Geometry & MOs

Info

ID:	216782
PubChem CID:	85086765
Reduced:	NSO3H15C16 (1)
Stoich.:	ABC3D15E16 (1)
Weight, g/mol:	301.188923
ΔH_f, kcal/mol:	-21.83
Dipole, Da:	7.34
IP(EA), eV:	-9.21(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-(1,2-dihydroxypent-3-enyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)ON=CC=CC2=CC=CC=C2

DOS

IR

Vibrations