Geometry & MOs

Info

ID:	38584
PubChem CID:	8137140
Reduced:	N3O6C14H19 (1)
Stoich.:	A3B6C14D19 (1)
Weight, g/mol:	389.104542
ΔH_f, kcal/mol:	-168.66
Dipole, Da:	3.93
IP(EA), eV:	-9.52(-0.04)
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] 2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetate

Drug info:

PubChemData

Smile

CC1=CC(=NO1)OCC(=O)OCC(=O)N(C)CC(=O)NC2CC2

DOS

IR

Vibrations