Geometry & MOs

Info

ID:	356384
PubChem CID:	127291457
Reduced:	SO2N5C19H29 (1)
Stoich.:	AB2C5D19E29 (1)
Weight, g/mol:	379.204196
ΔH_f, kcal/mol:	-45.99
Dipole, Da:	6.95
IP(EA), eV:	-8.86(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-dimethyl-1-[4-[4-[(1-methylpyrazol-4-yl)methyl]piperazine-1-carbonyl]-1,3-thiazolidin-3-yl]propan-1-one

Drug info:

PubChemData

Smile

CN1C=C(C=N1)CN2CCN(CC2)C(=O)C3CSCN3C(=O)C4CCCC4

DOS

IR

Vibrations