Geometry & MOs

Info

ID:	446216
PubChem CID:	135273212
Reduced:	ClSN6O8C43H49 (1)
Stoich.:	ABC6D8E43F49 (1)
Weight, g/mol:	384.154603
ΔH_f, kcal/mol:	-217.4
Dipole, Da:	6.72
IP(EA), eV:	-8.87(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[6-oxo-4-(6-piperazin-1-ylpyridin-3-yl)oxypyridazin-1-yl]piperidine-2,6-dione

Drug info:

PubChemData

Smile

CC1(C(C(C1OC2=CC(=C(C=C2)C#C)Cl)(C)C)NC(=O)C3=CN=C(C=C3)N4CCN(CC4)CCCCCOC5=CC6=C(C=C5)C(=O)N(S6(=O)=O)C7CCC(=O)NC7=O)C

DOS

IR

Vibrations