Geometry & MOs

Info

ID:	359613
PubChem CID:	127298887
Reduced:	ClFNO3C14H15 (1)
Stoich.:	ABCD3E14F15 (1)
Weight, g/mol:	369.059483
ΔH_f, kcal/mol:	-155.81
Dipole, Da:	4.53
IP(EA), eV:	-9.04(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-acetyl-N-(2,2-difluoro-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C1CC2=C(C=CC(=C2N(C1)C(=O)C3COCCO3)F)Cl

DOS

IR

Vibrations