Geometry & MOs

Info

ID:	60424
PubChem CID:	26685833
Reduced:	N2F3O3H15C19 (1)
Stoich.:	A2B3C3D15E19 (1)
Weight, g/mol:	468.16787
ΔH_f, kcal/mol:	-147.27
Dipole, Da:	7.05
IP(EA), eV:	-9.13(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide

Drug info:

PubChemData

Smile

CCC1=C(C2=CC=CC=C2O1)/C=N\OCC(=O)NC3=C(C(=C(C=C3)F)F)F

DOS

IR

Vibrations