Geometry & MOs

Info

ID:	196343
PubChem CID:	78813980
Reduced:	SN2O3C16H18 (1)
Stoich.:	AB2C3D16E18 (1)
Weight, g/mol:	443.10704
ΔH_f, kcal/mol:	-87.15
Dipole, Da:	5.3
IP(EA), eV:	-9.48(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(=O)NC(C)C2=CC(=CC=C2)S(=O)(=O)N

DOS

IR

Vibrations