Geometry & MOs

Info

ID:	124520
PubChem CID:	50887056
Reduced:	SN3O5H25C26 (1)
Stoich.:	AB3C5D25E26 (1)
Weight, g/mol:	428.1139
ΔH_f, kcal/mol:	-73.77
Dipole, Da:	10.59
IP(EA), eV:	-8.74(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-5-[(4Z)-4-[(3-methoxy-4-propan-2-yloxyphenyl)methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)/C=C\2/C(=NN(C2=O)C3=CC=C(C=C3)S(=O)(=O)N)C)OCC4=CC=CC=C4

DOS

IR

Vibrations