Geometry & MOs

Info

ID:	364103
PubChem CID:	127314049
Reduced:	SN3O3C20H25 (1)
Stoich.:	AB3C3D20E25 (1)
Weight, g/mol:	344.105545
ΔH_f, kcal/mol:	-76.1
Dipole, Da:	8.75
IP(EA), eV:	-9.65(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)sulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine

Drug info:

PubChemData

Smile

C1CCC(CC1)COC2=CC=C(C=C2)S(=O)(=O)N3CCC4=CN=CN=C4C3

DOS

IR

Vibrations