Geometry & MOs

Info

ID:	148637
PubChem CID:	53788305
Reduced:	OC8H12 (1)
Stoich.:	AB8C12 (1)
Weight, g/mol:	545.104179
ΔH_f, kcal/mol:	-24.53
Dipole, Da:	3.35
IP(EA), eV:	-10.12(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(3,4-dichlorophenyl)-1-[2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl]pyrrolidin-3-yl]propane-1-sulfonic acid

Drug info:

PubChemData

Smile

CC(=O)C=CC1(CC1)C

DOS

IR

Vibrations