Geometry & MOs

Info

ID:	220521
PubChem CID:	85197651
Reduced:	NO5C17H25 (1)
Stoich.:	AB5C17D25 (1)
Weight, g/mol:	323.155515
ΔH_f, kcal/mol:	-243.38
Dipole, Da:	1.48
IP(EA), eV:	-10.04(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-but-3-enyl-2,2,4-trimethyl-3-(4-methylphenyl)sulfonyl-1,3-oxazolidine

Drug info:

PubChemData

Smile

CCOC(=O)C1C2CCC(=C)C2(C(=O)N1C(=O)OC(C)(C)C)C

DOS

IR

Vibrations