Geometry & MOs

Info

ID:	84808
PubChem CID:	49870021
Reduced:	ClNO2F3C9H9 (1)
Stoich.:	ABC2D3E9F9 (1)
Weight, g/mol:	364.13176
ΔH_f, kcal/mol:	-238.26
Dipole, Da:	7.31
IP(EA), eV:	-8.74(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-oxo-3-[7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4,7-diazaspiro[2.5]octan-4-yl]propane-1-sulfonamide

Drug info:

PubChemData

Smile

CC1=C(C(=O)C(=C(N1C)CC(F)(F)F)O)Cl

DOS

IR

Vibrations