Geometry & MOs

Info

ID:	162625
PubChem CID:	57410820
Reduced:	SF2O2N6C20H28 (1)
Stoich.:	AB2C2D6E20F28 (1)
Weight, g/mol:	416.174293
ΔH_f, kcal/mol:	-126.19
Dipole, Da:	3.89
IP(EA), eV:	-8.7(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-N-(2-pyrazol-1-ylethyl)-7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4,7-diazaspiro[2.5]octane-4-sulfonamide

Drug info:

PubChemData

Smile

CN(CC1CCC(CC1)(F)F)S(=O)(=O)N2CCN(CC23CC3)C4=NC=NC5=C4C=CN5

DOS

IR

Vibrations