Geometry & MOs

Info

ID:	228433
PubChem CID:	87564448
Reduced:	NOC11H11 (2)
Stoich.:	ABC11D11 (2)
Weight, g/mol:	570.163157
ΔH_f, kcal/mol:	-9.63
Dipole, Da:	3.0
IP(EA), eV:	-8.28(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-cyclopropylpiperazin-1-yl)-N-[5-fluoro-6-[[6-(oxolan-3-yloxy)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]-1,3-benzothiazol-2-yl]acetamide

Drug info:

PubChemData

Smile

C1CCC(C1)NC2=CC=C(C=C2)OC3=NC4=C(C=C3)C=C(C=C4)CC=O

DOS

IR

Vibrations