Geometry & MOs

Info

ID:	148655
PubChem CID:	53788323
Reduced:	NSO4H19C21 (1)
Stoich.:	ABC4D19E21 (1)
Weight, g/mol:	505.062983
ΔH_f, kcal/mol:	-38.23
Dipole, Da:	4.06
IP(EA), eV:	-9.5(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[4-[(4-amino-3,5-dichlorophenyl)sulfonylamino]phenyl]-6-pyridin-3-ylhex-5-enoic acid

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=CC=CC(=C1CC2=CC=CC=C2)C(=O)C3=CON=C3C4CC4

DOS

IR

Vibrations