Geometry & MOs

Info

ID:	231244
PubChem CID:	87573160
Reduced:	SN2O2C12H16 (1)
Stoich.:	AB2C2D12E16 (1)
Weight, g/mol:	516.127247
ΔH_f, kcal/mol:	-73.54
Dipole, Da:	3.35
IP(EA), eV:	-9.05(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(naphthalen-1-ylmethylcarbamoyl)phenyl]-3,5-bis(trifluoromethyl)benzamide

Drug info:

PubChemData

Smile

C1CC(C(C1)(CC2=CN=C(C=C2)N)C(=O)O)S

DOS

IR

Vibrations