Geometry & MOs

Info

ID:	349080
PubChem CID:	127274806
Reduced:	F2O2N3C19H25 (1)
Stoich.:	A2B2C3D19E25 (1)
Weight, g/mol:	311.166748
ΔH_f, kcal/mol:	-173.8
Dipole, Da:	6.51
IP(EA), eV:	-8.94(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-tert-butylpyrazol-4-yl)-2-(oxan-2-ylmethylsulfanyl)acetamide

Drug info:

PubChemData

Smile

CC(=O)NC(CC(=O)N1CCN2CCCCC2C1)C3=C(C=CC=C3F)F

DOS

IR

Vibrations