Geometry & MOs

Info

ID:	311342
PubChem CID:	126590555
Reduced:	FN5O7C19H22 (1)
Stoich.:	AB5C7D19E22 (1)
Weight, g/mol:	480.219512
ΔH_f, kcal/mol:	-281.63
Dipole, Da:	4.91
IP(EA), eV:	-10.02(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-butylphenyl)-3-[hydroxy-(4-pyridin-4-ylpiperazin-1-yl)methyl]benzenesulfonamide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CN2C=C(N=N2)CC[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O)F

DOS

IR

Vibrations