Geometry & MOs

Info

ID:	131421
PubChem CID:	51203016
Reduced:	NSF2O3H13C18 (1)
Stoich.:	ABC2D3E13F18 (1)
Weight, g/mol:	340.124549
ΔH_f, kcal/mol:	-164.89
Dipole, Da:	8.3
IP(EA), eV:	-9.15(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[[1-(1,3-benzothiazol-2-yl)ethyl-methylamino]methyl]benzoate

Drug info:

PubChemData

Smile

CC(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=C(C=C(C=C3)F)F

DOS

IR

Vibrations