Geometry & MOs

Info

ID:	151685
PubChem CID:	56261126
Reduced:	BrN2S2O6C17H19 (1)
Stoich.:	AB2C2D6E17F19 (1)
Weight, g/mol:	351.147058
ΔH_f, kcal/mol:	-199.94
Dipole, Da:	4.44
IP(EA), eV:	-9.18(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-acetylphenoxy)-N-[2-(4-prop-2-ynoxyphenyl)ethyl]acetamide

Drug info:

PubChemData

Smile

CS(=O)(=O)N(C1=C(C=C(C=C1)NC(=O)COCC2=CC=CC=C2)Br)S(=O)(=O)C

DOS

IR

Vibrations