Geometry & MOs

Info

ID:	187965
PubChem CID:	77648919
Reduced:	O3N5C23H31 (1)
Stoich.:	A3B5C23D31 (1)
Weight, g/mol:	289.088498
ΔH_f, kcal/mol:	-41.8
Dipole, Da:	8.82
IP(EA), eV:	-8.52(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-methylsulfanylphenyl)-5-(pyrazol-1-ylmethyl)-1,3-oxazolidin-2-one

Drug info:

PubChemData

Smile

CN1C2C(C(N1)C3=CC=CC=C3)C(=O)NC(N2)C4=C(C=C(C=C4)N(C)CCOC)OC

DOS

IR

Vibrations