Geometry & MOs

Info

ID:	38649
PubChem CID:	8137331
Reduced:	NSF2O5C18H21 (1)
Stoich.:	ABC2D5E18F21 (1)
Weight, g/mol:	390.08497
ΔH_f, kcal/mol:	-288.81
Dipole, Da:	8.68
IP(EA), eV:	-10.15(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-methylamino]-2-oxoethyl] 3,4-difluorobenzoate

Drug info:

PubChemData

Smile

C1CCC(C1)N([C@H]2CCS(=O)(=O)C2)C(=O)COC(=O)C3=CC(=C(C=C3)F)F

DOS

IR

Vibrations