Geometry & MOs

Info

ID:	230553
PubChem CID:	87571347
Reduced:	NSO5H17C21 (1)
Stoich.:	ABC5D17E21 (1)
Weight, g/mol:	397.098394
ΔH_f, kcal/mol:	-103.61
Dipole, Da:	3.97
IP(EA), eV:	-8.85(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1,6-dihydroxy-4-[(E)-3-oxo-3-phenylprop-1-enyl]cyclohexa-2,4-dien-1-yl]benzenesulfonamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)/C=C/C2=C(C(=C(C=C2)O)O)NS(=O)(=O)C3=CC=CC=C3

DOS

IR

Vibrations