Geometry & MOs

Info

ID:	128984
PubChem CID:	51065086
Reduced:	SN2O2H18C19 (1)
Stoich.:	AB2C2D18E19 (1)
Weight, g/mol:	519.04635
ΔH_f, kcal/mol:	-10.81
Dipole, Da:	6.1
IP(EA), eV:	-8.51(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-bromophenoxy)-N-[2-(1,1-dioxothiolan-3-yl)-5-(4-methoxyphenyl)pyrazol-3-yl]acetamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NC(=C(O2)SC3=CC=C(C=C3)C)C(=O)NC

DOS

IR

Vibrations