Geometry & MOs

Info

ID:	155178
PubChem CID:	56320927
Reduced:	SO2F3N3C18H20 (1)
Stoich.:	AB2C3D3E18F20 (1)
Weight, g/mol:	454.07534
ΔH_f, kcal/mol:	-188.66
Dipole, Da:	2.73
IP(EA), eV:	-8.94(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(dimethylamino)-2-phenylethyl]-2-iodo-4,5-dimethoxybenzamide

Drug info:

PubChemData

Smile

CC(CNC(=O)C1=CSC(=N1)C2=CC(=CC=C2)C(F)(F)F)N3CCOCC3

DOS

IR

Vibrations