Geometry & MOs

Info

ID:	353566
PubChem CID:	127285143
Reduced:	SN3O4C18H25 (1)
Stoich.:	AB3C4D18E25 (1)
Weight, g/mol:	321.205242
ΔH_f, kcal/mol:	-150.32
Dipole, Da:	7.56
IP(EA), eV:	-9.27(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]ethyl]azepan-2-one

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N1CCC(CC1)N2CCCC2=O)NS(=O)(=O)C3=CC=CC=C3

DOS

IR

Vibrations