Geometry & MOs

Info

ID:	32471
PubChem CID:	7837605
Reduced:	N3O5C22H25 (1)
Stoich.:	A3B5C22D25 (1)
Weight, g/mol:	386.000669
ΔH_f, kcal/mol:	-102.95
Dipole, Da:	2.44
IP(EA), eV:	-9.22(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-[(4,5,6-trifluoro-1,3-benzothiazol-2-yl)amino]ethyl] 3-methylthiophene-2-carboxylate

Drug info:

PubChemData

Smile

C[C@H]1CCCN(C1)C(=O)COC(=O)C2=CC(=C(C=C2)NCC3=CC=CC=C3)[N+](=O)[O-]

DOS

IR

Vibrations