Geometry & MOs

Info

ID:	305907
PubChem CID:	124974048
Reduced:	OSN7C17H17 (1)
Stoich.:	ABC7D17E17 (1)
Weight, g/mol:	367.121529
ΔH_f, kcal/mol:	99.14
Dipole, Da:	3.35
IP(EA), eV:	-8.69(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-2-[2-(pyrazin-2-ylamino)-1,3-thiazol-4-yl]piperidin-1-yl]-pyridazin-3-ylmethanone

Drug info:

PubChemData

Smile

C1CCN([C@@H](C1)C2=CSC(=N2)NC3=NC=CN=C3)C(=O)C4=NN=CC=C4

DOS

IR

Vibrations