Geometry & MOs

Info

ID:	155324
PubChem CID:	56352911
Reduced:	FSN2O4C20H29 (1)
Stoich.:	ABC2D4E20F29 (1)
Weight, g/mol:	411.138341
ΔH_f, kcal/mol:	-207.32
Dipole, Da:	6.45
IP(EA), eV:	-8.94(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(5-chlorothiophen-2-yl)-4,5-dihydro-1,2-oxazol-5-yl]-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC(C(=O)N1CCC(CC1)CCN2CCOCC2)S(=O)(=O)C3=CC=C(C=C3)F

DOS

IR

Vibrations