Geometry & MOs

Info

ID:	140696
PubChem CID:	52741611
Reduced:	ClSN2O3C23H23 (1)
Stoich.:	ABC2D3E23F23 (1)
Weight, g/mol:	442.165935
ΔH_f, kcal/mol:	-60.24
Dipole, Da:	6.0
IP(EA), eV:	-9.03(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=NC(=CS2)C(=O)NCC3(CCOCC3)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations