Geometry & MOs

Info

ID:	300196
PubChem CID:	121264396
Reduced:	O2Cl3N3H14C21 (1)
Stoich.:	A2B3C3D14E21 (1)
Weight, g/mol:	485.097424
ΔH_f, kcal/mol:	3.66
Dipole, Da:	6.28
IP(EA), eV:	-9.67(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-fluorophenyl)-2-(trifluoromethyl)-4-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C(C2=NC=C(C=C2)CO)NC(=O)C3=CC(=C(C=C3)C#N)Cl)Cl)Cl

DOS

IR

Vibrations