Geometry & MOs

Info

ID:	444241
PubChem CID:	135261839
Reduced:	BrSN2O5C32H35 (1)
Stoich.:	ABC2D5E32F35 (1)
Weight, g/mol:	491.177982
ΔH_f, kcal/mol:	-134.17
Dipole, Da:	5.97
IP(EA), eV:	-8.37(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3Z)-5-(5-cyclohexyloxypyridin-3-yl)-3-(4-thiophen-3-ylindol-2-ylidene)-1,2-dihydropyrazolo[3,4-b]pyridine

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCN(CC1)CCOC2=CC=C(C=C2)OC3=C(SC4=C3C=CC(=C4)OC)C5=CC=C(C=C5)Br

DOS

IR

Vibrations