Geometry & MOs

Info

ID:	156235
PubChem CID:	56369769
Reduced:	FN3O3C26H28 (1)
Stoich.:	AB3C3D26E28 (1)
Weight, g/mol:	359.166748
ΔH_f, kcal/mol:	-124.25
Dipole, Da:	4.05
IP(EA), eV:	-8.6(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(oxolan-2-ylmethylsulfanyl)benzamide

Drug info:

PubChemData

Smile

CN(CCCNC(=O)C1CCCN1C(=O)C2=C(C3=CC=CC=C3C=C2)O)C4=CC=CC=C4F

DOS

IR

Vibrations