Geometry & MOs

Info

ID:	342116
PubChem CID:	127264829
Reduced:	O2N6C13H14 (1)
Stoich.:	A2B6C13D14 (1)
Weight, g/mol:	213.08235
ΔH_f, kcal/mol:	54.42
Dipole, Da:	2.88
IP(EA), eV:	-10.37(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(but-2-enylsulfinylmethyl)-4,5-dimethyl-1,3-oxazole

Drug info:

PubChemData

Smile

CC1=CC(=C2C(=NOC2=N1)C)C(=O)NCCN3C=CN=N3

DOS

IR

Vibrations