Geometry & MOs

Info

ID:	68773
PubChem CID:	46509060
Reduced:	ClNSO4C11H12 (1)
Stoich.:	ABCD4E11F12 (1)
Weight, g/mol:	397.073242
ΔH_f, kcal/mol:	-135.29
Dipole, Da:	2.91
IP(EA), eV:	-10.2(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate

Drug info:

PubChemData

Smile

CC(=C)COC(=O)C1=C(C=CC(=C1)S(=O)(=O)N)Cl

DOS

IR

Vibrations