Geometry & MOs

Info

ID:	122247
PubChem CID:	50799439
Reduced:	S2N3O6C22H23 (1)
Stoich.:	A2B3C6D22E23 (1)
Weight, g/mol:	490.101953
ΔH_f, kcal/mol:	-177.05
Dipole, Da:	7.94
IP(EA), eV:	-8.77(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-chloro-2-methoxyphenyl)-2-[1-methyl-3-phenyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridin-6-yl]oxyacetamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)CSC2=NC=C(C(=O)N2)S(=O)(=O)C3=CC(=C(C=C3)OC)OC)C

DOS

IR

Vibrations