Geometry & MOs

Info

ID:	400759
PubChem CID:	135049018
Reduced:	NO4C14H24 (1)
Stoich.:	AB4C14D24 (1)
Weight, g/mol:	195.056529
ΔH_f, kcal/mol:	-206.44
Dipole, Da:	6.16
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.755622
Charge, e:	0

Chem-info

IUPAC name:

(E)-tert-butylsulfinyl(carboxymethylidene)azanium;hydroxide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)/[N+](=C/C(=O)O)/CC1CCCCC1

DOS

IR

Vibrations