Geometry & MOs

Info

ID:	323265
PubChem CID:	126673906
Reduced:	S2N3O4C12H17 (1)
Stoich.:	A2B3C4D12E17 (1)
Weight, g/mol:	141.036068
ΔH_f, kcal/mol:	-96.13
Dipole, Da:	5.7
IP(EA), eV:	-8.87(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1H-pyridazine-2-carbothioamide

Drug info:

PubChemData

Smile

CCN.C1=CC=C2C(=C1)C(=CC=C2S(=O)(=O)S(=O)(=O)N)N

DOS

IR

Vibrations