Geometry & MOs

Info

ID:	329686
PubChem CID:	126920772
Reduced:	SN7C13H15 (1)
Stoich.:	AB7C13D15 (1)
Weight, g/mol:	390.158643
ΔH_f, kcal/mol:	148.89
Dipole, Da:	6.66
IP(EA), eV:	-8.91(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]-1-propan-2-ylimidazole-4-sulfonamide

Drug info:

PubChemData

Smile

CC1=CSC(=N1)N(C)C2CN(C2)C3=NN4C=NN=C4C=C3

DOS

IR

Vibrations