Geometry & MOs

Info

ID:	141604
PubChem CID:	52901329
Reduced:	F2N3O5H17C22 (1)
Stoich.:	A2B3C5D17E22 (1)
Weight, g/mol:	399.172896
ΔH_f, kcal/mol:	-228.2
Dipole, Da:	9.49
IP(EA), eV:	-9.15(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)-1-oxopropan-2-yl]-4-phenylpiperazine-1-carboxamide

Drug info:

PubChemData

Smile

C1[C@@H](C2=C(C(=CN2C3=CC(=CC(=C3)F)F)C(=O)O)NC1=O)C4=CC=C(C=C4)OCC(=O)N

DOS

IR

Vibrations