Geometry & MOs

Info

ID:	77140
PubChem CID:	48425847
Reduced:	O2F3N4C18H21 (1)
Stoich.:	A2B3C4D18E21 (1)
Weight, g/mol:	367.135448
ΔH_f, kcal/mol:	-200.85
Dipole, Da:	2.8
IP(EA), eV:	-9.61(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-cyanophenyl)sulfanyl-N-[2-(diethylamino)-2-oxoethyl]benzamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)CNC(=O)C1=C(N(N=C1)C2=CC=CC(=C2)C(F)(F)F)C

DOS

IR

Vibrations