Geometry & MOs

Info

ID:	129276
PubChem CID:	51072148
Reduced:	BrSO2N4H25C27 (1)
Stoich.:	ABC2D4E25F27 (1)
Weight, g/mol:	318.194343
ΔH_f, kcal/mol:	93.39
Dipole, Da:	4.64
IP(EA), eV:	-8.69(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-phenylprop-2-enoic acid;N-(2,2,6,6-tetramethylpiperidin-4-ylidene)hydroxylamine

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=CSC(=N2)N3C(CC(=N3)C4=C(C=CC(=C4)C)C)C5=CC(=CC=C5)[N+](=O)[O-].Br

DOS

IR

Vibrations