Geometry & MOs

Info

ID:	242863
PubChem CID:	99213494
Reduced:	SN2O5C24H28 (1)
Stoich.:	AB2C5D24E28 (1)
Weight, g/mol:	405.080157
ΔH_f, kcal/mol:	-124.66
Dipole, Da:	2.2
IP(EA), eV:	-9.19(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-4-chloro-N-ethyl-3-methylsulfonylbenzamide

Drug info:

PubChemData

Smile

CCN([C@H](C)C1=CC2=CC=CC=C2O1)C(=O)/C=C/C3=CC(=C(C=C3)OC)S(=O)(=O)N(C)C

DOS

IR

Vibrations