Geometry & MOs

Info

ID:	32417
PubChem CID:	7802901
Reduced:	N2O4C17H18 (1)
Stoich.:	A2B4C17D18 (1)
Weight, g/mol:	385.04425
ΔH_f, kcal/mol:	-75.31
Dipole, Da:	6.46
IP(EA), eV:	-9.37(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3R)-2-oxooxolan-3-yl] 2-(1,3-benzothiazol-2-ylsulfanylmethyl)benzoate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N(C)CC1=CC=CC=C1)OC(=O)C2=CC=CC=[N+]2[O-]

DOS

IR

Vibrations