Geometry & MOs

Info

ID:	405113
PubChem CID:	135072637
Reduced:	NSO2C17H17 (1)
Stoich.:	ABC2D17E17 (1)
Weight, g/mol:	292.109944
ΔH_f, kcal/mol:	-1.89
Dipole, Da:	6.76
IP(EA), eV:	-8.48(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(2-acetylphenyl)-3-phenylprop-2-ynyl] acetate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N(C=C=C)S(=O)(=O)C2=CC=C(C=C2)C

DOS

IR

Vibrations