Geometry & MOs

Info

ID:	136729
PubChem CID:	52090641
Reduced:	OSCl2N3H15C20 (1)
Stoich.:	ABC2D3E15F20 (1)
Weight, g/mol:	501.156971
ΔH_f, kcal/mol:	45.26
Dipole, Da:	10.91
IP(EA), eV:	-8.66(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-(3,4-dimethoxyphenyl)-2-[(3S)-1,1-dioxothiolan-3-yl]pyrazol-3-yl]-3,4-dimethoxybenzamide

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)C(=C(S2)C(=O)NC3=CC(=NN3C)C4=CC=C(C=C4)Cl)Cl

DOS

IR

Vibrations