Geometry & MOs

Info

ID:	246770
PubChem CID:	103064849
Reduced:	ClNSO2C11H12 (1)
Stoich.:	ABCD2E11F12 (1)
Weight, g/mol:	281.119798
ΔH_f, kcal/mol:	-75.93
Dipole, Da:	6.67
IP(EA), eV:	-9.06(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,6-diethyl-3-(thiolan-3-ylamino)pyridazine-4-carboxylic acid

Drug info:

PubChemData

Smile

C1CSCC1NC2=C(C=C(C=C2)C(=O)O)Cl

DOS

IR

Vibrations