Geometry & MOs

Info

ID:	121393
PubChem CID:	50766465
Reduced:	SN4O5C24H32 (1)
Stoich.:	AB4C5D24E32 (1)
Weight, g/mol:	494.163534
ΔH_f, kcal/mol:	-168.47
Dipole, Da:	8.13
IP(EA), eV:	-8.42(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3-fluorophenyl)sulfonylamino]-4-[4-[2-(2-methoxyethylamino)-2-oxoethyl]piperazin-1-yl]benzoic acid

Drug info:

PubChemData

Smile

CCCCNC(=O)CN1CCN(CC1)C2=C(C=C(C=C2)C(=O)O)NS(=O)(=O)C3=CC=CC(=C3)C

DOS

IR

Vibrations