Geometry & MOs

Info

ID:	404640
PubChem CID:	135068358
Reduced:	NSO4H15C18 (1)
Stoich.:	ABC4D15E18 (1)
Weight, g/mol:	285.172879
ΔH_f, kcal/mol:	-108.37
Dipole, Da:	3.13
IP(EA), eV:	-8.88(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,5S)-4-methyl-3-oct-1-ynyl-5-phenyl-1,3-oxazolidin-2-one

Drug info:

PubChemData

Smile

CC1=C(C(=C(C=C1)OC(=O)C)C2=NC3=CC=CC=C3S2)OC(=O)C

DOS

IR

Vibrations