Geometry & MOs

Info

ID:	124556
PubChem CID:	50887221
Reduced:	SN3O6C15H15 (1)
Stoich.:	AB3C6D15E15 (1)
Weight, g/mol:	539.9949
ΔH_f, kcal/mol:	-121.83
Dipole, Da:	6.62
IP(EA), eV:	-9.42(-2.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-5-[(4Z)-4-[(4-ethoxy-3-iodo-5-methoxyphenyl)methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid

Drug info:

PubChemData

Smile

CC(C)OC1=C(C=C(C=C1OC)C=C2C(=O)NC(=S)NC2=O)[N+](=O)[O-]

DOS

IR

Vibrations