Geometry & MOs

Info

ID:	55900
PubChem CID:	17397233
Reduced:	ON2S2H16C17 (1)
Stoich.:	AB2C2D16E17 (1)
Weight, g/mol:	326.072513
ΔH_f, kcal/mol:	30.12
Dipole, Da:	4.85
IP(EA), eV:	-8.63(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

phenyl 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxylate

Drug info:

PubChemData

Smile

CCC1=CC=CC=C1NC(=O)CC2=CSC(=N2)C3=CSC=C3

DOS

IR

Vibrations