Geometry & MOs

Info

ID:	437191
PubChem CID:	135215638
Reduced:	SO2N3C21H23 (1)
Stoich.:	AB2C3D21E23 (1)
Weight, g/mol:	406.198046
ΔH_f, kcal/mol:	-24.51
Dipole, Da:	5.69
IP(EA), eV:	-8.1(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-[1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-6-yl]propan-2-yl]-1,4-dihydropyrrolo[3,2-b]pyridin-5-one

Drug info:

PubChemData

Smile

CCC1=CNC2=C1C=C(C=C2)CCC3=CNC4=C3C=C(C=C4)NS(=O)(=O)C

DOS

IR

Vibrations