Geometry & MOs

Info

ID:	376615
PubChem CID:	134222636
Reduced:	SCl3C13H19 (1)
Stoich.:	AB3C13D19 (1)
Weight, g/mol:	337.152537
ΔH_f, kcal/mol:	-32.44
Dipole, Da:	5.31
IP(EA), eV:	-9.08(-2.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S,5R)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-5-phenyl-1,3-oxazolidine-4-carboperoxoic acid

Drug info:

PubChemData

Smile

CCCCCCCC1=CC=C(C=C1)S(Cl)(Cl)Cl

DOS

IR

Vibrations