Geometry & MOs

Info

ID:	296956
PubChem CID:	117602619
Reduced:	SO3N6C18H20 (1)
Stoich.:	AB3C6D18E20 (1)
Weight, g/mol:	338.188195
ΔH_f, kcal/mol:	56.18
Dipole, Da:	3.52
IP(EA), eV:	-8.84(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[2-(4-phenylphenyl)ethyl]oxane-4-carboxylate

Drug info:

PubChemData

Smile

C1CSCCC1(C(=O)NO)NCC2=NOC(=C2)C3=CC=C(C=C3)N4N=CC=N4

DOS

IR

Vibrations