Geometry & MOs

Info

ID:	84746
PubChem CID:	49869610
Reduced:	OSF3N4H7C10 (1)
Stoich.:	ABC3D4E7F10 (1)
Weight, g/mol:	401.127009
ΔH_f, kcal/mol:	-90.13
Dipole, Da:	8.07
IP(EA), eV:	-9.87(-1.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4,7-diazaspiro[2.5]octane-4-carbonyl]-1H-pyrrole-3-sulfonamide

Drug info:

PubChemData

Smile

CN(C1=CN=NC=C1)C(=O)C2=CSN=C2C(F)(F)F

DOS

IR

Vibrations