Geometry & MOs

Info

ID:	124464
PubChem CID:	50884691
Reduced:	NO7H15C20 (1)
Stoich.:	AB7C15D20 (1)
Weight, g/mol:	540.085492
ΔH_f, kcal/mol:	-188.91
Dipole, Da:	2.32
IP(EA), eV:	-9.54(-2.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-5-[(4Z)-4-[[5-[4-chloro-3-(2-methylpropoxycarbonyl)phenyl]furan-2-yl]methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid

Drug info:

PubChemData

Smile

CC1(OC(=O)C(=CC2=CC=C(O2)C3=CC=C(C=C3)C(=O)OCC#N)C(=O)O1)C

DOS

IR

Vibrations