Geometry & MOs

Info

ID:	55552
PubChem CID:	17395532
Reduced:	SN2O2H12C15 (1)
Stoich.:	AB2C2D12E15 (1)
Weight, g/mol:	325.088498
ΔH_f, kcal/mol:	-8.35
Dipole, Da:	2.92
IP(EA), eV:	-8.43(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]-2-phenylacetamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)NC2=NC(=CS2)C3=C(C=C(C=C3)O)O

DOS

IR

Vibrations