Geometry & MOs

Info

ID:	150278
PubChem CID:	53789966
Reduced:	SN4O9H10C16 (1)
Stoich.:	AB4C9D10E16 (1)
Weight, g/mol:	314.282095
ΔH_f, kcal/mol:	-106.14
Dipole, Da:	6.03
IP(EA), eV:	-9.65(-2.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 7-hydroxy-8,14-dimethylhexadecanoate

Drug info:

PubChemData

Smile

C1=CC2=C(C=CC(=NNC3=C(C(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])O)C2=O)C(=C1)S(=O)(=O)O

DOS

IR

Vibrations