Geometry & MOs

Info

ID:	165372
PubChem CID:	74541384
Reduced:	ClNO7H18C22 (1)
Stoich.:	ABC7D18E22 (1)
Weight, g/mol:	391.156577
ΔH_f, kcal/mol:	-169.38
Dipole, Da:	10.66
IP(EA), eV:	-8.75(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazine-1-carbonyl]piperidin-2-one

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C2C(=C(C3=CC=C(C=C3)Cl)[O-])C(=O)C(=O)N2CCC(=O)[O-])OC

DOS

IR

Vibrations