Geometry & MOs

Info

ID:	237148
PubChem CID:	92717658
Reduced:	SO3N4H20C22 (1)
Stoich.:	AB3C4D20E22 (1)
Weight, g/mol:	450.136176
ΔH_f, kcal/mol:	15.13
Dipole, Da:	6.07
IP(EA), eV:	-8.76(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R)-1-(1,3-benzothiazol-2-yl)-3-methyl-4-(2,4,5-trimethoxyphenyl)-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(=CC=C5)OC)OC

DOS

IR

Vibrations