Geometry & MOs

Info

ID:	401541
PubChem CID:	135051591
Reduced:	IN2O4C15H17 (1)
Stoich.:	AB2C4D15E17 (1)
Weight, g/mol:	417.06779
ΔH_f, kcal/mol:	-46.04
Dipole, Da:	8.34
IP(EA), eV:	-9.06(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-acetamido-3-(5-trimethylsilylpenta-1,4-diynyl)phenyl] trifluoromethanesulfonate

Drug info:

PubChemData

Smile

CC1(CC(=CC(=O)C1)NC2=C(C=C(C=C2I)OC)[N+](=O)[O-])C

DOS

IR

Vibrations