Geometry & MOs

Info

ID:	402009
PubChem CID:	135053850
Reduced:	NO5C19H25 (1)
Stoich.:	AB5C19D25 (1)
Weight, g/mol:	334.098728
ΔH_f, kcal/mol:	-226.02
Dipole, Da:	5.58
IP(EA), eV:	-9.52(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,4-dimethyl-3-[(4R,5S)-5-(3-methylphenyl)-2-sulfanylidene-1,3-oxazolidine-4-carbonyl]-1,3-oxazolidin-2-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)[C@@H]([C@]2(CCOC2=O)C(=O)C)NC(=O)OC(C)(C)C

DOS

IR

Vibrations