Geometry & MOs

Info

ID:	140670
PubChem CID:	52739677
Reduced:	ClFO2N3C24H25 (1)
Stoich.:	ABC2D3E24F25 (1)
Weight, g/mol:	458.187543
ΔH_f, kcal/mol:	-71.25
Dipole, Da:	2.4
IP(EA), eV:	-9.11(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3-(tert-butylsulfamoyl)-N-ethyl-4-methoxybenzamide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C2=CC=C(C=C2)C(=O)NCC3(CCOCC3)C4=CC(=CC=C4)F)C)Cl

DOS

IR

Vibrations