Geometry & MOs

Info

ID:	265419
PubChem CID:	103520217
Reduced:	BrFNOSH9C11 (1)
Stoich.:	ABCDEF9G11 (1)
Weight, g/mol:	250.077599
ΔH_f, kcal/mol:	-30.41
Dipole, Da:	1.75
IP(EA), eV:	-8.96(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethanone

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations