Geometry & MOs

Info

ID:	32604
PubChem CID:	7846958
Reduced:	SN2O3C21H22 (1)
Stoich.:	AB2C3D21E22 (1)
Weight, g/mol:	382.135114
ΔH_f, kcal/mol:	-66.97
Dipole, Da:	3.74
IP(EA), eV:	-9.09(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N(C)CC1=CC=CC=C1)OC(=O)CCC2=NC3=CC=CC=C3S2

DOS

IR

Vibrations