Geometry & MOs

Info

ID:	132818
PubChem CID:	51427036
Reduced:	N2O2H10C11 (2)
Stoich.:	A2B2C10D11 (2)
Weight, g/mol:	342.102471
ΔH_f, kcal/mol:	14.23
Dipole, Da:	1.9
IP(EA), eV:	-8.9(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

6-[5-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]-4H-pyrazol-3-yl]-2,3-dimethylphenolate

Drug info:

PubChemData

Smile

COC1=C(C(=C(C=C1)[C@H]2[C@H]3C(=NN=C3OC(=C2C#N)N)C4=CC=CC=C4)OC)OC

DOS

IR

Vibrations