Geometry & MOs

Info

ID:	38910
PubChem CID:	8138146
Reduced:	SN3O4C15H17 (1)
Stoich.:	AB3C4D15E17 (1)
Weight, g/mol:	345.168856
ΔH_f, kcal/mol:	-105.97
Dipole, Da:	6.5
IP(EA), eV:	-9.49(-0.54)
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-(3,4-dimethylphenoxy)acetate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)NNC(=O)C2=CC=CN2

DOS

IR

Vibrations