Geometry & MOs

Info

ID:	405173
PubChem CID:	135072908
Reduced:	NPSO5C20H26 (1)
Stoich.:	ABCD5E20F26 (1)
Weight, g/mol:	217.110279
ΔH_f, kcal/mol:	-230.85
Dipole, Da:	4.45
IP(EA), eV:	-9.51(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(E)-1-(4-methylphenyl)but-3-enylideneamino] acetate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)/N=C(\C2=CC=CC=C2)/P(=O)(OC(C)C)OC(C)C

DOS

IR

Vibrations