Geometry & MOs

Info

ID:	345732
PubChem CID:	127270032
Reduced:	FN2O3H21C22 (1)
Stoich.:	AB2C3D21E22 (1)
Weight, g/mol:	386.121275
ΔH_f, kcal/mol:	-109.67
Dipole, Da:	4.58
IP(EA), eV:	-8.85(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)sulfonyl-4-fluorospiro[2H-indole-3,1'-cyclobutane]

Drug info:

PubChemData

Smile

C1CC2(C1)CN(C3=C2C(=CC=C3)F)C(=O)CN4C(=O)C5C6CC(C5C4=O)C=C6

DOS

IR

Vibrations