Geometry & MOs

Info

ID:	161050
PubChem CID:	57390624
Reduced:	ON4H12C16 (1)
Stoich.:	AB4C12D16 (1)
Weight, g/mol:	364.034077
ΔH_f, kcal/mol:	114.91
Dipole, Da:	7.99
IP(EA), eV:	-8.27(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[[(Z)-2-cyano-3-hydroxypent-2-enoyl]amino]phenyl] trifluoromethanesulfonate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=C(/C(=C\3/C=CC=CC3=O)/N2)CN=[N+]=[N-]

DOS

IR

Vibrations