Geometry & MOs

Info

ID:	32625
PubChem CID:	7846995
Reduced:	NSO4H19C20 (1)
Stoich.:	ABC4D19E20 (1)
Weight, g/mol:	369.103479
ΔH_f, kcal/mol:	-98.39
Dipole, Da:	3.74
IP(EA), eV:	-9.11(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations