Geometry & MOs

Info

ID:	43283
PubChem CID:	10320673
Reduced:	NOSH24C29 (1)
Stoich.:	ABCD24E29 (1)
Weight, g/mol:	433.319209
ΔH_f, kcal/mol:	118.59
Dipole, Da:	2.68
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.938566
Charge, e:	0

Chem-info

IUPAC name:

2-[(E)-1-(4-hexadecoxyphenyl)ethylideneamino]oxyacetic acid

Drug info:

PubChemData

Smile

CC[S+]1C2=CC=CC=C2C3=CC=CC=C3N1C4(C(=C4O)C5=CC=CC=C5)C6=CC=CC=C6

DOS

IR

Vibrations