Geometry & MOs

Info

ID:	153262
PubChem CID:	56312431
Reduced:	ClSN2O3C21H25 (1)
Stoich.:	ABC2D3E21F25 (1)
Weight, g/mol:	406.189257
ΔH_f, kcal/mol:	-94.16
Dipole, Da:	3.48
IP(EA), eV:	-9.07(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-methoxy-4-[[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]methyl]chromen-2-one

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)CCS(=O)(=O)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations