Geometry & MOs

Info

ID:	229560
PubChem CID:	87568018
Reduced:	FN2O3H21C22 (1)
Stoich.:	AB2C3D21E22 (1)
Weight, g/mol:	281.129694
ΔH_f, kcal/mol:	-57.69
Dipole, Da:	5.44
IP(EA), eV:	-9.49(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4,6-dimethyl-5-oxohept-6-en-3-yl)-dimethyl-sulfoazanium;hydroxide

Drug info:

PubChemData

Smile

C/C(=C(\C1=CC=C(C=C1)F)/C(=O)NC2CC2)/C3=CC=C(C=C3)/C=C/C(=O)NO

DOS

IR

Vibrations