Geometry & MOs

Info

ID:	350453
PubChem CID:	127277815
Reduced:	SN2O3C12H20 (1)
Stoich.:	AB2C3D12E20 (1)
Weight, g/mol:	389.163394
ΔH_f, kcal/mol:	-143.85
Dipole, Da:	5.68
IP(EA), eV:	-8.97(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazine-1-carbonyl]-1,3-thiazolidin-3-yl]propan-1-one

Drug info:

PubChemData

Smile

CCC(=O)N1CSCC1C(=O)N2CCC(CC2)O

DOS

IR

Vibrations