Geometry & MOs

Info

ID:	191234
PubChem CID:	78121582
Reduced:	SN2O8H28C33 (1)
Stoich.:	AB2C8D28E33 (1)
Weight, g/mol:	305.162708
ΔH_f, kcal/mol:	-207.23
Dipole, Da:	7.5
IP(EA), eV:	-8.51(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-(2-hydroxyethyl)-3-methyl-5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxylate

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1O)OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)NC(=S)NC(=O)C6=CC7=CC=CC=C7C=C6

DOS

IR

Vibrations