Geometry & MOs

Info

ID:	190208
PubChem CID:	77968531
Reduced:	FN2O10C37H61 (1)
Stoich.:	AB2C10D37E61 (1)
Weight, g/mol:	324.140868
ΔH_f, kcal/mol:	-504.1
Dipole, Da:	3.01
IP(EA), eV:	-8.72(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[7-(cyclopentylamino)-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]acetonitrile

Drug info:

PubChemData

Smile

CCC1C(C2CCC(=O)COC(CC(C(=NC(=O)CC)C2C)C)(C(C(C(=O)C(C(=O)O1)(C)F)C)OC3C(C(CC(O3)C)N(C)C)OC)C)(C)O

DOS

IR

Vibrations