Geometry & MOs

Info

ID:	237163
PubChem CID:	92717710
Reduced:	OSN4H20C22 (1)
Stoich.:	ABC4D20E22 (1)
Weight, g/mol:	480.161997
ΔH_f, kcal/mol:	70.69
Dipole, Da:	7.63
IP(EA), eV:	-8.72(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R)-1-(1,3-benzothiazol-2-yl)-3-methyl-4-[4-[(4-methylphenyl)methoxy]phenyl]-4,5-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)[C@H]2CC(=O)N=C3C2=C(NN3C4=NC5=CC=CC=C5S4)C)C

DOS

IR

Vibrations