Geometry & MOs

Info

ID:	265414
PubChem CID:	103520192
Reduced:	NSO2C8H13 (1)
Stoich.:	ABC2D8E13 (1)
Weight, g/mol:	239.007471
ΔH_f, kcal/mol:	-74.92
Dipole, Da:	1.12
IP(EA), eV:	-8.94(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1-thiophen-2-ylethanone

Drug info:

PubChemData

Smile

CC1=COC(=N1)SCC(C)(C)O

DOS

IR

Vibrations