Geometry & MOs

Info

ID:	417089
PubChem CID:	135091297
Reduced:	ON2C19H24 (1)
Stoich.:	AB2C19D24 (1)
Weight, g/mol:	394.156243
ΔH_f, kcal/mol:	-19.0
Dipole, Da:	3.8
IP(EA), eV:	-8.05(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4,6-dimethyl-1-benzofuran-3-yl)-N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]acetamide

Drug info:

PubChemData

Smile

CC[C@]1(CCC[C@H]2[C@@H]1CN(C2)C3=NC=CC4=CC=CC=C43)O

DOS

IR

Vibrations