Geometry & MOs

Info

ID:	244443
PubChem CID:	99355546
Reduced:	SF2O3N6H16C18 (1)
Stoich.:	AB2C3D6E16F18 (1)
Weight, g/mol:	390.12628
ΔH_f, kcal/mol:	-82.99
Dipole, Da:	7.11
IP(EA), eV:	-9.66(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-imidazol-1-yl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]pyridazine-3-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCN1C(=O)C2=NN=C(C=C2)N3C=CN=C3)S(=O)(=O)C4=C(C=C(C=C4)F)F

DOS

IR

Vibrations