Geometry & MOs

Info

ID:	124537
PubChem CID:	50887154
Reduced:	N2C17H20 (1)
Stoich.:	A2B17C20 (1)
Weight, g/mol:	527.055399
ΔH_f, kcal/mol:	57.49
Dipole, Da:	1.66
IP(EA), eV:	-8.12(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(4Z)-4-[[5-[4-(acetylsulfamoyl)phenyl]furan-2-yl]methylidene]-3-methyl-5-oxopyrazol-1-yl]-2-chlorobenzoic acid

Drug info:

PubChemData

Smile

CCC1=CC(=C(C=C1)CC)C=NNC2=CC=CC=C2

DOS

IR

Vibrations