Geometry & MOs

Info

ID:	218118
PubChem CID:	85088907
Reduced:	SN3O3H21C24 (1)
Stoich.:	AB3C3D21E24 (1)
Weight, g/mol:	431.230788
ΔH_f, kcal/mol:	-1.85
Dipole, Da:	4.67
IP(EA), eV:	-8.74(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10-nitrooxydecyl 2-(6-methoxynaphthalen-2-yl)propanoate

Drug info:

PubChemData

Smile

CC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3N2C(=O)CNN=CC4=CC=CC=C4OC

DOS

IR

Vibrations