Geometry & MOs

Info

ID:	265416
PubChem CID:	103520214
Reduced:	BrOSN2H9C10 (1)
Stoich.:	ABCD2E9F10 (1)
Weight, g/mol:	240.012412
ΔH_f, kcal/mol:	27.07
Dipole, Da:	1.95
IP(EA), eV:	-9.02(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-chloropyridin-4-yl)methylsulfanyl]-4-methyl-1,3-oxazole

Drug info:

PubChemData

Smile

CC1=COC(=N1)SCC2=NC=C(C=C2)Br

DOS

IR

Vibrations