Geometry & MOs

Info

ID:	300070
PubChem CID:	119526665
Reduced:	OF3N3C18H20 (1)
Stoich.:	AB3C3D18E20 (1)
Weight, g/mol:	338.166414
ΔH_f, kcal/mol:	-160.08
Dipole, Da:	3.93
IP(EA), eV:	-9.37(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(1,1-dioxothiolan-3-yl)acetamide

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)C(CNC(=O)C2=CN=C(C=C2)C(F)(F)F)N

DOS

IR

Vibrations