Geometry & MOs

Info

ID:	313513
PubChem CID:	126615208
Reduced:	NSF2O2C9H11 (1)
Stoich.:	ABC2D2E9F11 (1)
Weight, g/mol:	282.170533
ΔH_f, kcal/mol:	-50.83
Dipole, Da:	24.37
IP(EA), eV:	-6.59(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(3-ethoxycarbonylphenyl)methyl-bis(2-hydroxyethyl)-methylazanium

Drug info:

PubChemData

Smile

CS(C)(C)C1=C(C=C(C(=C1)F)[N+](=O)[O-])F

DOS

IR

Vibrations