Geometry & MOs

Info

ID:	85836
PubChem CID:	49879667
Reduced:	ClSO2F3N3H14C15 (1)
Stoich.:	ABC2D3E3F14G15 (1)
Weight, g/mol:	331.157716
ΔH_f, kcal/mol:	-166.0
Dipole, Da:	4.19
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.750044
Charge, e:	-1

Chem-info

IUPAC name:

N-[2-(diethylamino)ethyl]-4-phenylbenzamide;chloride

Drug info:

PubChemData

Smile

CCOC(=O)C1=CN=C(N=C1NC2=CC=CC(=C2)C(F)(F)F)SC.[Cl-]

DOS

IR

Vibrations