Geometry & MOs

Info

ID:	390552
PubChem CID:	134999683
Reduced:	PO4C17H27 (1)
Stoich.:	AB4C17D27 (1)
Weight, g/mol:	467.140259
ΔH_f, kcal/mol:	-235.89
Dipole, Da:	5.13
IP(EA), eV:	-10.1(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-2-naphthalen-2-ylsulfanyl-3-nitropropanoate

Drug info:

PubChemData

Smile

CCCCC(CC(=O)C1=CC=CC=C1)P(=O)(OCC)OCC

DOS

IR

Vibrations