Geometry & MOs

Info

ID:	143226
PubChem CID:	53168252
Reduced:	O2N5C22H25 (1)
Stoich.:	A2B5C22D25 (1)
Weight, g/mol:	443.151492
ΔH_f, kcal/mol:	-7.68
Dipole, Da:	6.24
IP(EA), eV:	-8.99(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-benzodioxol-5-yl-[4-[5-methyl-4-(thiomorpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CCN(CC)C1=NC(=NC2=C1C(=CC(=N2)C)C)C(=O)NC3=CC=CC(=C3)C(=O)C

DOS

IR

Vibrations