Geometry & MOs

Info

ID:	221926
PubChem CID:	85292806
Reduced:	O2S4C17H28 (1)
Stoich.:	A2B4C17D28 (1)
Weight, g/mol:	393.113171
ΔH_f, kcal/mol:	-99.24
Dipole, Da:	2.67
IP(EA), eV:	-8.61(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[1-(4-chlorophenyl)-3-naphthalen-2-yl-5-oxopyrrolidin-2-yl]acetate

Drug info:

PubChemData

Smile

CC1=C2CC3(C(C2(C(CCC1SCCS)O)C)OC)SCCS3

DOS

IR

Vibrations