Geometry & MOs

Info

ID:	57605
PubChem CID:	22426010
Reduced:	BrClFOSN4H17C22 (1)
Stoich.:	ABCDEF4G17H22 (1)
Weight, g/mol:	391.116821
ΔH_f, kcal/mol:	33.98
Dipole, Da:	2.67
IP(EA), eV:	-9.1(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(3,5-dimethoxy-4-oxocyclohexa-2,5-dien-1-ylidene)-3-phenyl-1,2-dihydropyrazolo[3,4-b]pyridine-4-carboxylic acid

Drug info:

PubChemData

Smile

C1CC2=C(C(N3C(=N2)N=C(N3)SCC4=C(C=C(C=C4)F)Cl)C5=CC=C(C=C5)Br)C(=O)C1

DOS

IR

Vibrations