Geometry & MOs

Info

ID:	399467
PubChem CID:	135040469
Reduced:	NC15H15 (1)
Stoich.:	AB15C15 (1)
Weight, g/mol:	308.055481
ΔH_f, kcal/mol:	93.32
Dipole, Da:	3.42
IP(EA), eV:	-8.13(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-1-azido-3-phenylpropan-2-yl]-1,1,1-trifluoromethanesulfonamide

Drug info:

PubChemData

Smile

CCC#C/C=C\C1=CC2=CC=CC=C2N1C

DOS

IR

Vibrations