Geometry & MOs

Info

ID:	39107
PubChem CID:	8139707
Reduced:	SN3O4C21H27 (1)
Stoich.:	AB3C4D21E27 (1)
Weight, g/mol:	351.098584
ΔH_f, kcal/mol:	-109.12
Dipole, Da:	4.03
IP(EA), eV:	-8.75(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 2-(2-chlorophenoxy)acetate

Drug info:

PubChemData

Smile

CN(C)CC1=CC=CC=C1CNC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCOCC3

DOS

IR

Vibrations