Geometry & MOs

Info

ID:	237149
PubChem CID:	92717661
Reduced:	SN4O4H22C23 (1)
Stoich.:	AB4C4D22E23 (1)
Weight, g/mol:	450.136176
ΔH_f, kcal/mol:	-25.76
Dipole, Da:	8.53
IP(EA), eV:	-8.22(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

DOS

IR

Vibrations