Geometry & MOs

Info

ID:	32653
PubChem CID:	7847038
Reduced:	ClSN2O3H19C20 (1)
Stoich.:	ABC2D3E19F20 (1)
Weight, g/mol:	402.080491
ΔH_f, kcal/mol:	-83.18
Dipole, Da:	4.57
IP(EA), eV:	-9.35(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl] 3-(1,3-benzothiazol-2-yl)propanoate

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=C(C=C1)Cl)NC(=O)COC(=O)CCC2=NC3=CC=CC=C3S2

DOS

IR

Vibrations