Geometry & MOs

Info

ID:	270115
PubChem CID:	103629085
Reduced:	NSO2C12H15 (1)
Stoich.:	ABC2D12E15 (1)
Weight, g/mol:	241.088498
ΔH_f, kcal/mol:	-47.33
Dipole, Da:	1.84
IP(EA), eV:	-8.99(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-oxo-N-(2-prop-2-enylsulfanylethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide

Drug info:

PubChemData

Smile

C=CCSCCNC(=O)OC1=CC=CC=C1

DOS

IR

Vibrations