Geometry & MOs

Info

ID:	162537
PubChem CID:	57394975
Reduced:	O2N8H14C15 (1)
Stoich.:	A2B8C14D15 (1)
Weight, g/mol:	317.087435
ΔH_f, kcal/mol:	67.2
Dipole, Da:	3.35
IP(EA), eV:	-9.35(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-phenylphenyl)methyl]-1,2-benzothiazol-3-one

Drug info:

PubChemData

Smile

C[C@H](CN1N=CC=N1)N2C=NC3=C(C2=O)C=C4C(=C3)C(=O)N(N=N4)C

DOS

IR

Vibrations