Geometry & MOs

Info

ID:	46109
PubChem CID:	10521965
Reduced:	NO3C14H19 (1)
Stoich.:	AB3C14D19 (1)
Weight, g/mol:	353.093309
ΔH_f, kcal/mol:	-32.88
Dipole, Da:	2.29
IP(EA), eV:	-8.84(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(4S,5S)-3-(4-methylphenyl)sulfonyl-2-oxo-5-prop-2-enyl-1,3-oxazolidin-4-yl]acetate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(CCCC=C)/C=[N+](\O)/[O-]

DOS

IR

Vibrations