Geometry & MOs

Info

ID:	29532
PubChem CID:	834877
Reduced:	NSO2C18H21 (1)
Stoich.:	ABC2D18E21 (1)
Weight, g/mol:	331.120843
ΔH_f, kcal/mol:	-52.21
Dipole, Da:	4.17
IP(EA), eV:	-8.3(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-ethoxyphenyl)benzo[e][1]benzofuran-2-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CCCC(=O)NC2=CC(=CC=C2)SC

DOS

IR

Vibrations