Geometry & MOs

Info

ID:	365730
PubChem CID:	127318455
Reduced:	ClN2O2S2C17H17 (1)
Stoich.:	AB2C2D2E17F17 (1)
Weight, g/mol:	397.247775
ΔH_f, kcal/mol:	-32.93
Dipole, Da:	3.57
IP(EA), eV:	-9.18(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-propan-2-yl-1,2-oxazol-5-yl)-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=CSC(=N1)SC2=C(C=CC=C2Cl)NC(=O)C3CC4CCC3O4

DOS

IR

Vibrations