Geometry & MOs

Info

ID:	141134
PubChem CID:	52822501
Reduced:	NO3C8H11 (2)
Stoich.:	AB3C8D11 (2)
Weight, g/mol:	375.071134
ΔH_f, kcal/mol:	-258.28
Dipole, Da:	1.58
IP(EA), eV:	-8.65(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-1-oxopropan-2-yl] 2-methyl-1,3-thiazole-5-carboxylate

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)NC(=O)N)OC(=O)CCC1=CC(=C(C=C1)OC)O

DOS

IR

Vibrations