Geometry & MOs

Info

ID:	32633
PubChem CID:	7847011
Reduced:	SF2N2O3H14C18 (1)
Stoich.:	AB2C2D3E14F18 (1)
Weight, g/mol:	396.150764
ΔH_f, kcal/mol:	-150.39
Dipole, Da:	2.36
IP(EA), eV:	-9.29(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2,6-diethylanilino)-2-oxoethyl] 3-(1,3-benzothiazol-2-yl)propanoate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)N=C(S2)CCC(=O)OCC(=O)NC3=C(C=CC=C3F)F

DOS

IR

Vibrations