Geometry & MOs

Info

ID:	32603
PubChem CID:	7846954
Reduced:	ClFSN2O3H16C19 (1)
Stoich.:	ABCD2E3F16G19 (1)
Weight, g/mol:	382.135114
ΔH_f, kcal/mol:	-124.93
Dipole, Da:	3.17
IP(EA), eV:	-9.13(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-[benzyl(methyl)amino]-1-oxopropan-2-yl] 3-(1,3-benzothiazol-2-yl)propanoate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1=C(C=C(C=C1)F)Cl)OC(=O)CCC2=NC3=CC=CC=C3S2

DOS

IR

Vibrations