Geometry & MOs

Info

ID:	422745
PubChem CID:	135118341
Reduced:	SO2N5C23H25 (1)
Stoich.:	AB2C5D23E25 (1)
Weight, g/mol:	354.205576
ΔH_f, kcal/mol:	11.16
Dipole, Da:	3.12
IP(EA), eV:	-9.39(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-methyl-1-oxa-9-azaspiro[5.5]undec-4-en-9-yl)-(1,3,6-trimethylpyrazolo[3,4-b]pyridin-4-yl)methanone

Drug info:

PubChemData

Smile

C1C[C@H]2[C@@](C[C@@H]1N2C(=O)C3=CC=CC=C3)(CC4=CSC=N4)C(=O)NCCC5=CN=CN5

DOS

IR

Vibrations