Geometry & MOs

Info

ID:	171917
PubChem CID:	75439958
Reduced:	SN2O3C17H20 (1)
Stoich.:	AB2C3D17E20 (1)
Weight, g/mol:	324.119796
ΔH_f, kcal/mol:	-66.93
Dipole, Da:	1.48
IP(EA), eV:	-8.84(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-tert-butyl-2-[[3-(trifluoromethyl)pyrazolo[4,3-c]pyridin-1-yl]methyl]-1,3-oxazole

Drug info:

PubChemData

Smile

C[C@@H]1CN(CC(O1)C(=O)OC)CC2=NC(=CS2)C3=CC=CC=C3

DOS

IR

Vibrations