Geometry & MOs

Info

ID:	149578
PubChem CID:	53789252
Reduced:	ClSN2O5C23H29 (1)
Stoich.:	ABC2D5E23F29 (1)
Weight, g/mol:	295.120843
ΔH_f, kcal/mol:	-155.6
Dipole, Da:	6.65
IP(EA), eV:	-8.64(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]benzoic acid

Drug info:

PubChemData

Smile

COC1C=C2CCC(C3=CC(=O)C(=CC=C3C2=C(C1OC)OC)SC)NC(=O)NCCCl

DOS

IR

Vibrations