Geometry & MOs

Info

ID:	153035
PubChem CID:	56312151
Reduced:	SF2N3O4C22H25 (1)
Stoich.:	AB2C3D4E22F25 (1)
Weight, g/mol:	424.15537
ΔH_f, kcal/mol:	-225.39
Dipole, Da:	5.82
IP(EA), eV:	-9.45(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)CC(=O)NC3=CC=C(C=C3)S(=O)(=O)C(F)F

DOS

IR

Vibrations