Geometry & MOs

Info

ID:	140648
PubChem CID:	52735815
Reduced:	SN3O3C24H39 (1)
Stoich.:	AB3C3D24E39 (1)
Weight, g/mol:	448.147073
ΔH_f, kcal/mol:	-152.59
Dipole, Da:	4.43
IP(EA), eV:	-8.88(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-3-nitro-4-[(3S)-3-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperidin-1-yl]benzamide

Drug info:

PubChemData

Smile

C[C@@H]1CCCN(C1)C(C)(C)CNC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

DOS

IR

Vibrations