Geometry & MOs

Info

ID:	54287
PubChem CID:	16957875
Reduced:	O2S2N5H19C21 (1)
Stoich.:	A2B2C5D19E21 (1)
Weight, g/mol:	464.046041
ΔH_f, kcal/mol:	12.68
Dipole, Da:	5.41
IP(EA), eV:	-8.57(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-[(4-methylsulfanyl-3-nitrophenyl)sulfonylamino]acetate

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C(=C(S2)NC(=O)CSC3=NN=C4N3C5=CC=CC=C5C=C4)C(=O)N

DOS

IR

Vibrations