Geometry & MOs

Info

ID:	34979
PubChem CID:	7979159
Reduced:	BrFN2O2H14C17 (1)
Stoich.:	ABC2D2E14F17 (1)
Weight, g/mol:	402.161329
ΔH_f, kcal/mol:	-50.01
Dipole, Da:	1.39
IP(EA), eV:	-9.42(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] (3S,7aR)-5-oxo-7a-phenyl-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)NNC(=O)/C=C/C2=C(C=CC(=C2)Br)F

DOS

IR

Vibrations