Geometry & MOs

Info

ID:	57613
PubChem CID:	22426149
Reduced:	SN4O4C30H30 (1)
Stoich.:	AB4C4D30E30 (1)
Weight, g/mol:	365.081184
ΔH_f, kcal/mol:	-48.44
Dipole, Da:	10.65
IP(EA), eV:	-8.22(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(dihydroxymethylidene)-3-(4-fluorophenyl)-1,2-dihydropyrazolo[3,4-b]pyridin-6-yl]cyclohexa-3,5-diene-1,2-dione

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)NC(=O)CC2C(=O)N=C(S2)N3C(CC(=N3)C4=CC=C(C=C4)OC)C5=CC=C(C=C5)C

DOS

IR

Vibrations