Geometry & MOs

Info

ID:	339783
PubChem CID:	127261792
Reduced:	NOSH15C16 (1)
Stoich.:	ABCD15E16 (1)
Weight, g/mol:	207.071785
ΔH_f, kcal/mol:	49.18
Dipole, Da:	2.88
IP(EA), eV:	-8.85(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S,5S)-4-methyl-5-methylsulfanyl-3-phenyl-4,5-dihydro-1,2-oxazole

Drug info:

PubChemData

Smile

C[C@@H]1[C@H](ON=C1C2=CC=CC=C2)SC3=CC=CC=C3

DOS

IR

Vibrations