Geometry & MOs

Info

ID:	154182
PubChem CID:	56313585
Reduced:	S2N3O4C19H23 (1)
Stoich.:	A2B3C4D19E23 (1)
Weight, g/mol:	421.172559
ΔH_f, kcal/mol:	-131.93
Dipole, Da:	4.67
IP(EA), eV:	-8.47(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NS(=O)(=O)C2=C(SC=C2)C(=O)NC3CCN(CC3)C(=O)C

DOS

IR

Vibrations