Geometry & MOs

Info

ID:	364848
PubChem CID:	127316289
Reduced:	S2O3N4C13H22 (1)
Stoich.:	A2B3C4D13E22 (1)
Weight, g/mol:	333.125946
ΔH_f, kcal/mol:	-110.14
Dipole, Da:	9.42
IP(EA), eV:	-8.62(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-1-(6-oxo-1H-pyridazin-3-yl)-N-(thian-4-ylmethyl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=NC(=CN1C)S(=O)(=O)NCC(=O)NCC2CCSCC2

DOS

IR

Vibrations