Geometry & MOs

Info

ID:	145297
PubChem CID:	53493925
Reduced:	ClS2N4O5C25H29 (1)
Stoich.:	AB2C4D5E25F29 (1)
Weight, g/mol:	379.112126
ΔH_f, kcal/mol:	-122.11
Dipole, Da:	2.93
IP(EA), eV:	-8.56(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(5-chloropyridin-2-yl)sulfanyl-2-(oxan-4-yl)-4-piperidin-4-yl-1,3-oxazole

Drug info:

PubChemData

Smile

CS(=O)C1=CC=C(C=C1)C2=C(OC(=N2)C3CCN(CC3)C(=O)OCCNCCO)SC4=NC=C(C=C4)Cl

DOS

IR

Vibrations