Geometry & MOs

Info

ID:	237151
PubChem CID:	92717663
Reduced:	SO3N4H20C22 (1)
Stoich.:	AB3C4D20E22 (1)
Weight, g/mol:	420.125612
ΔH_f, kcal/mol:	6.33
Dipole, Da:	10.18
IP(EA), eV:	-8.68(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-1-(1,3-benzothiazol-2-yl)-4-(2,4-dimethoxyphenyl)-3-methyl-4,5-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one

Drug info:

PubChemData

Smile

CC1=C2[C@@H](CC(=O)N=C2N(N1)C3=NC4=CC=CC=C4S3)C5=C(C=C(C=C5)OC)OC

DOS

IR

Vibrations