Geometry & MOs

Info

ID:	173564
PubChem CID:	75653560
Reduced:	ClSN4O5H17C21 (1)
Stoich.:	ABC4D5E17F21 (1)
Weight, g/mol:	376.106409
ΔH_f, kcal/mol:	-81.3
Dipole, Da:	4.85
IP(EA), eV:	-8.99(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

ethyl 2-[3-(4-chlorophenyl)-2-(methoxymethyl)-7-oxo-3,4-dihydropyrazolo[1,5-a]pyrimidin-8-ium-5-yl]acetate

Drug info:

PubChemData

Smile

CC1=C(C(=O)NN1)C(=C2C(=NNC2=O)C)C3=CC=C(C=C3)OS(=O)(=O)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations