Geometry & MOs

Info

ID:	265431
PubChem CID:	103520274
Reduced:	SN2O2H12C13 (1)
Stoich.:	AB2C2D12E13 (1)
Weight, g/mol:	172.030649
ΔH_f, kcal/mol:	7.81
Dipole, Da:	5.69
IP(EA), eV:	-9.2(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=COC(=N1)SCCOC2=CC=C(C=C2)C#N

DOS

IR

Vibrations