Geometry & MOs

Info

ID:	72585
PubChem CID:	48416331
Reduced:	ClSN3O3C16H20 (1)
Stoich.:	ABC3D3E16F20 (1)
Weight, g/mol:	369.205242
ΔH_f, kcal/mol:	-104.71
Dipole, Da:	5.83
IP(EA), eV:	-9.3(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,3-dihydro-1H-inden-5-yl)-4-[3-(2-oxoimidazolidin-1-yl)piperidin-1-yl]butane-1,4-dione

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)CCC(=O)C2=CC=C(S2)Cl)N3CCNC3=O

DOS

IR

Vibrations