Geometry & MOs

Info

ID:	358812
PubChem CID:	127296680
Reduced:	N2S2O3C16H22 (1)
Stoich.:	A2B2C3D16E22 (1)
Weight, g/mol:	285.147727
ΔH_f, kcal/mol:	-91.88
Dipole, Da:	2.64
IP(EA), eV:	-9.36(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-methylidenepiperidin-1-yl)-(3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone

Drug info:

PubChemData

Smile

C=C1CCN(CC1)C(=O)C2=C(C=CS2)S(=O)(=O)N3CCCCC3

DOS

IR

Vibrations