Geometry & MOs

Info

ID:	302761
PubChem CID:	124394698
Reduced:	SN2O4C25H26 (1)
Stoich.:	AB2C4D25E26 (1)
Weight, g/mol:	487.174336
ΔH_f, kcal/mol:	-84.02
Dipole, Da:	5.59
IP(EA), eV:	-8.49(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(Z)-(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]-2,6-dimethoxyphenoxy]-N-(2-methylphenyl)acetamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N=C2N([C@H]1C3=CC(=C(C=C3)OCC4=CC=CC(=C4)C)OC)C=CS2)C

DOS

IR

Vibrations