Geometry & MOs

Info

ID:	139671
PubChem CID:	52577230
Reduced:	S2N3O3C16H21 (1)
Stoich.:	A2B3C3D16E21 (1)
Weight, g/mol:	388.124549
ΔH_f, kcal/mol:	-59.92
Dipole, Da:	6.13
IP(EA), eV:	-8.62(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(methoxymethyl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzamide

Drug info:

PubChemData

Smile

C[C@H](C1=CC=C(O1)C(=O)OC)SC2=NN=C(S2)NC3CCCCC3

DOS

IR

Vibrations