Geometry & MOs

Info

ID:	405429
PubChem CID:	135073879
Reduced:	NSO4C16H23 (1)
Stoich.:	ABC4D16E23 (1)
Weight, g/mol:	253.110279
ΔH_f, kcal/mol:	-171.18
Dipole, Da:	5.88
IP(EA), eV:	-9.58(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(Z)-1-(4-phenylphenyl)ethylideneamino] acetate

Drug info:

PubChemData

Smile

CCCC/C=C(/C)\COC(=O)NS(=O)(=O)C1=CC=C(C=C1)C

DOS

IR

Vibrations