Geometry & MOs

Info

ID:	321506
PubChem CID:	126666453
Reduced:	FNO2C7H8 (2)
Stoich.:	ABC2D7E8 (2)
Weight, g/mol:	552.222883
ΔH_f, kcal/mol:	-267.61
Dipole, Da:	8.49
IP(EA), eV:	-10.09(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (2S,4S)-2-[cyclopentyl-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]carbamoyl]-4-phenylpyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

C1C[C@@H]([C@H](C1)NC(=O)O)NC(=O)C2=CC=CC=C2OC(F)F

DOS

IR

Vibrations