Geometry & MOs

Info

ID:	229414
PubChem CID:	87567581
Reduced:	SN2O2H28C30 (1)
Stoich.:	AB2C2D28E30 (1)
Weight, g/mol:	371.207214
ΔH_f, kcal/mol:	48.92
Dipole, Da:	3.98
IP(EA), eV:	-8.79(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-3-oxo-N-[2-(trifluoromethyl)phenyl]dodecanamide

Drug info:

PubChemData

Smile

CC(=O)SC\1CCN(C/C1=C\C2=CN=CO2)C(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5

DOS

IR

Vibrations