Geometry & MOs

Info

ID:	32637
PubChem CID:	7847016
Reduced:	SN2O3C21H22 (1)
Stoich.:	AB2C3D21E22 (1)
Weight, g/mol:	368.119464
ΔH_f, kcal/mol:	-72.34
Dipole, Da:	2.73
IP(EA), eV:	-9.03(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-ethylanilino)-2-oxoethyl] 3-(1,3-benzothiazol-2-yl)propanoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN(C)C(=O)COC(=O)CCC2=NC3=CC=CC=C3S2

DOS

IR

Vibrations