Geometry & MOs

Info

ID:	162605
PubChem CID:	57410691
Reduced:	SO3N4C25H28 (1)
Stoich.:	AB3C4D25E28 (1)
Weight, g/mol:	534.221324
ΔH_f, kcal/mol:	-28.44
Dipole, Da:	4.73
IP(EA), eV:	-8.72(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H]1CN(CCN1C(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC4=C3N=CC=C4)CC5CC5

DOS

IR

Vibrations