Geometry & MOs

Info

ID:	152972
PubChem CID:	56312076
Reduced:	F2N3O3C22H25 (1)
Stoich.:	A2B3C3D22E25 (1)
Weight, g/mol:	488.209341
ΔH_f, kcal/mol:	-177.65
Dipole, Da:	5.78
IP(EA), eV:	-8.59(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[3-methyl-4-[3-oxo-3-[2-(4-sulfamoylphenyl)ethylamino]propyl]piperazin-1-yl]benzoate

Drug info:

PubChemData

Smile

CC1CN(CCN1CCC(=O)NC2=CC(=C(C=C2)F)F)C3=CC=C(C=C3)C(=O)OC

DOS

IR

Vibrations