Geometry & MOs

Info

ID:	265417
PubChem CID:	103520215
Reduced:	ClOSN2H9C10 (1)
Stoich.:	ABCD2E9F10 (1)
Weight, g/mol:	316.92768
ΔH_f, kcal/mol:	16.2
Dipole, Da:	4.12
IP(EA), eV:	-9.12(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-bromo-2-chlorophenyl)methylsulfanyl]-4-methyl-1,3-oxazole

Drug info:

PubChemData

Smile

CC1=COC(=N1)SCC2=CC(=NC=C2)Cl

DOS

IR

Vibrations