Geometry & MOs

Info

ID:	32584
PubChem CID:	7846926
Reduced:	ClNSO3H14C18 (1)
Stoich.:	ABCD3E14F18 (1)
Weight, g/mol:	368.119464
ΔH_f, kcal/mol:	-59.71
Dipole, Da:	1.57
IP(EA), eV:	-9.13(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(4-methylanilino)-1-oxopropan-2-yl] 3-(1,3-benzothiazol-2-yl)propanoate

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C(=O)COC(=O)CCC2=NC3=CC=CC=C3S2)Cl

DOS

IR

Vibrations