Geometry & MOs

Info

ID:	62074
PubChem CID:	26717450
Reduced:	Cl2N2O3H14C15 (1)
Stoich.:	A2B2C3D14E15 (1)
Weight, g/mol:	418.046268
ΔH_f, kcal/mol:	-88.17
Dipole, Da:	2.54
IP(EA), eV:	-9.69(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[[(1R)-1-(3,4-dichlorophenyl)ethyl]amino]-2-oxoethyl]-4-(trifluoromethyl)benzamide

Drug info:

PubChemData

Smile

C[C@@H](C1=CC(=C(C=C1)Cl)Cl)NC(=O)CNC(=O)C2=CC=CO2

DOS

IR

Vibrations