Geometry & MOs

Info

ID:	427328
PubChem CID:	135157212
Reduced:	OSN2C13H16 (1)
Stoich.:	ABC2D13E16 (1)
Weight, g/mol:	612.241784
ΔH_f, kcal/mol:	-15.9
Dipole, Da:	3.26
IP(EA), eV:	-8.7(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-fluoro-2-(oxan-2-yloxy)phenyl]-2-[4-[4-(3-hydroxypropoxy)butylamino]-3-oxo-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide

Drug info:

PubChemData

Smile

C1CCC(C(C1)N)(C2=NC3=CC=CC=C3S2)O

DOS

IR

Vibrations