Geometry & MOs

Info

ID:	128986
PubChem CID:	51065304
Reduced:	N2O3H22C23 (1)
Stoich.:	A2B3C22D23 (1)
Weight, g/mol:	469.167142
ΔH_f, kcal/mol:	-24.95
Dipole, Da:	6.44
IP(EA), eV:	-8.59(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CN(C2=CC=CC=C2O1)C(=O)C3=NOC(=C3)C4=CC5=C(CCCC5)C=C4

DOS

IR

Vibrations