Geometry & MOs

Info

ID:	32593
PubChem CID:	7846936
Reduced:	SN2O3H18C21 (1)
Stoich.:	AB2C3D18E21 (1)
Weight, g/mol:	334.135114
ΔH_f, kcal/mol:	-50.26
Dipole, Da:	3.44
IP(EA), eV:	-8.94(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(3-methylbutylamino)-2-oxoethyl] 3-(1,3-benzothiazol-2-yl)propanoate

Drug info:

PubChemData

Smile

CC1=C(C2=CC=CC=C2N1)C(=O)COC(=O)CCC3=NC4=CC=CC=C4S3

DOS

IR

Vibrations