Geometry & MOs

Info

ID:	81905
PubChem CID:	49855333
Reduced:	SN4O4C30H36 (1)
Stoich.:	AB4C4D30E36 (1)
Weight, g/mol:	436.14818
ΔH_f, kcal/mol:	-76.18
Dipole, Da:	0.58
IP(EA), eV:	-8.08(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(5S)-5,6-dinitrooxyhexyl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate

Drug info:

PubChemData

Smile

CC(C)OC1=C(C=C2CCC3=C(C2=C1)N(N=C3C(=O)N4CCCN(CC4)C(=O)C5CCC5)C6=CSC=C6)OC

DOS

IR

Vibrations