Geometry & MOs

Info

ID:	370755
PubChem CID:	127340120
Reduced:	SO3N4C18H30 (1)
Stoich.:	AB3C4D18E30 (1)
Weight, g/mol:	353.185175
ΔH_f, kcal/mol:	-115.08
Dipole, Da:	3.65
IP(EA), eV:	-9.27(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCS(=O)(=O)N1CCCCC1C(=O)N2CCC(CC2)CN3C=CC=N3

DOS

IR

Vibrations