Geometry & MOs

Info

ID:	136725
PubChem CID:	52090061
Reduced:	ClSO3N4H13C18 (1)
Stoich.:	ABC3D4E13F18 (1)
Weight, g/mol:	513.193357
ΔH_f, kcal/mol:	-18.26
Dipole, Da:	5.4
IP(EA), eV:	-8.99(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-(3,4-dimethoxyphenyl)-2-[(3R)-1,1-dioxothiolan-3-yl]pyrazol-3-yl]-2-(4-propan-2-ylphenoxy)acetamide

Drug info:

PubChemData

Smile

CC1=C(C2=C(O1)N=CN(C2=O)CC3=CC=C(C=C3)Cl)C(=O)NC4=NC=CS4

DOS

IR

Vibrations