Geometry & MOs

Info

ID:	319613
PubChem CID:	126656797
Reduced:	SF3N3O3H22C23 (1)
Stoich.:	AB3C3D3E22F23 (1)
Weight, g/mol:	171.162314
ΔH_f, kcal/mol:	-166.39
Dipole, Da:	9.11
IP(EA), eV:	-8.85(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4-dimethyl-2-propan-2-ylpentanamide

Drug info:

PubChemData

Smile

CC1(COCN(C(=S)N1C2=CC=C(C=C2)OC3COC3)C4=CC(=C(C=C4)C#N)C(F)(F)F)C

DOS

IR

Vibrations