Geometry & MOs

Info

ID:	265423
PubChem CID:	103520223
Reduced:	BrNO2S2H8C10 (1)
Stoich.:	ABC2D2E8F10 (1)
Weight, g/mol:	267.012077
ΔH_f, kcal/mol:	-1.72
Dipole, Da:	2.82
IP(EA), eV:	-8.95(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-chlorophenyl)-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethanone

Drug info:

PubChemData

Smile

CC1=COC(=N1)SCC(=O)C2=CC=C(S2)Br

DOS

IR

Vibrations