Geometry & MOs

Info

ID:	140697
PubChem CID:	52741612
Reduced:	ClN2O4C24H27 (1)
Stoich.:	AB2C4D24E27 (1)
Weight, g/mol:	442.165935
ΔH_f, kcal/mol:	-142.52
Dipole, Da:	1.41
IP(EA), eV:	-8.54(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N2C[C@@H](CC2=O)C(=O)NCC3(CCOCC3)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations