Geometry & MOs

Info

ID:	124519
PubChem CID:	50887054
Reduced:	Cl2N2O5H16C20 (1)
Stoich.:	A2B2C5D16E20 (1)
Weight, g/mol:	491.151492
ΔH_f, kcal/mol:	-113.28
Dipole, Da:	9.82
IP(EA), eV:	-8.99(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4Z)-4-[(3-ethoxy-4-phenylmethoxyphenyl)methylidene]-3-methyl-5-oxopyrazol-1-yl]benzenesulfonamide

Drug info:

PubChemData

Smile

CC\1=NN(C(=O)/C1=C\C2=CC(=C(C(=C2)Cl)OC)OC)C3=CC(=C(C=C3)Cl)C(=O)O

DOS

IR

Vibrations