Geometry & MOs

Info

ID:	132761
PubChem CID:	51415006
Reduced:	N2O2C14H19 (1)
Stoich.:	A2B2C14D19 (1)
Weight, g/mol:	320.070502
ΔH_f, kcal/mol:	-34.25
Dipole, Da:	2.67
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.794903
Charge, e:	-1

Chem-info

IUPAC name:

3-amino-1-ethoxy-2-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-sulfanylideneprop-1-en-1-olate

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)OC[C@@H](C[N+]2=CNC=C2)O

DOS

IR

Vibrations