Geometry & MOs

Info

ID:	356371
PubChem CID:	127291444
Reduced:	SO2N5C19H27 (1)
Stoich.:	AB2C5D19E27 (1)
Weight, g/mol:	375.172896
ΔH_f, kcal/mol:	-30.14
Dipole, Da:	4.34
IP(EA), eV:	-8.84(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cyclobutyl-[4-[4-(pyridazin-3-ylamino)piperidine-1-carbonyl]-1,3-thiazolidin-3-yl]methanone

Drug info:

PubChemData

Smile

CC1=NN=C(C=C1)N2CCCN(CC2)C(=O)C3CSCN3C(=O)C4CCC4

DOS

IR

Vibrations