Geometry & MOs

Info

ID:	186670
PubChem CID:	77464802
Reduced:	ClN2O2C23H25 (1)
Stoich.:	AB2C2D23E25 (1)
Weight, g/mol:	519.153401
ΔH_f, kcal/mol:	-29.27
Dipole, Da:	7.19
IP(EA), eV:	-8.68(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4,4-difluoro-2-methylsulfonylpyrrolidin-2-yl)ethyl]-7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4,7-diazaspiro[2.5]octane-4-sulfonamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)CC2=C(C=CC(=C2)C3CCCC(O3)N4C=CN=C4)Cl

DOS

IR

Vibrations