Geometry & MOs

Info

ID:	52137
PubChem CID:	12014926
Reduced:	NSO4C9H13 (1)
Stoich.:	ABC4D9E13 (1)
Weight, g/mol:	590.327521
ΔH_f, kcal/mol:	-139.66
Dipole, Da:	5.72
IP(EA), eV:	-8.65(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(4-chlorophenyl)diazenyl]-2-methylphenyl] 4-hexadecoxybenzoate

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CN)OS(=O)(=O)C

DOS

IR

Vibrations