Geometry & MOs

Info

ID:	356383
PubChem CID:	127291456
Reduced:	SO2N5C18H27 (1)
Stoich.:	AB2C5D18E27 (1)
Weight, g/mol:	391.204196
ΔH_f, kcal/mol:	-42.14
Dipole, Da:	6.54
IP(EA), eV:	-9.13(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cyclopentyl-[4-[4-[(1-methylpyrazol-4-yl)methyl]piperazine-1-carbonyl]-1,3-thiazolidin-3-yl]methanone

Drug info:

PubChemData

Smile

CN1C=CN=C1CN2CCN(CC2)C(=O)C3CSCN3C(=O)C4CCC4

DOS

IR

Vibrations