Geometry & MOs

Info

ID:	265422
PubChem CID:	103520222
Reduced:	SN2O2C13H16 (1)
Stoich.:	AB2C2D13E16 (1)
Weight, g/mol:	316.91798
ΔH_f, kcal/mol:	-42.36
Dipole, Da:	6.71
IP(EA), eV:	-8.48(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(N1C)C)C(=O)CSC2=NC(=CO2)C

DOS

IR

Vibrations