Geometry & MOs

Info

ID:	237150
PubChem CID:	92717662
Reduced:	SN4O4H22C23 (1)
Stoich.:	AB4C4D22E23 (1)
Weight, g/mol:	420.125612
ΔH_f, kcal/mol:	-24.55
Dipole, Da:	8.77
IP(EA), eV:	-8.33(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R)-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=CC(=C(C=C5OC)OC)OC

DOS

IR

Vibrations