Geometry & MOs

Info

ID:	317403
PubChem CID:	126637282
Reduced:	NSO2C9H17 (1)
Stoich.:	ABC2D9E17 (1)
Weight, g/mol:	409.146952
ΔH_f, kcal/mol:	-56.06
Dipole, Da:	3.91
IP(EA), eV:	-8.91(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[2-[3-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]ethyl]-3-fluoroquinolin-2-amine

Drug info:

PubChemData

Smile

CNCC/C=C\C(CC=C)S(=O)O

DOS

IR

Vibrations