Geometry & MOs

Info

ID:	64136
PubChem CID:	29196309
Reduced:	BrSO2N3H20C24 (1)
Stoich.:	ABC2D3E20F24 (1)
Weight, g/mol:	459.12642
ΔH_f, kcal/mol:	17.51
Dipole, Da:	2.19
IP(EA), eV:	-8.72(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethyl]-4-oxochromene-2-carboxamide

Drug info:

PubChemData

Smile

C1CC1N2C(=O)[C@H](SC2=NC3=CC=CC4=CC=CC=C43)CC(=O)NC5=CC=CC=C5Br

DOS

IR

Vibrations