Geometry & MOs

Info

ID:	46643
PubChem CID:	10525869
Reduced:	S2O6C19H26 (1)
Stoich.:	A2B6C19D26 (1)
Weight, g/mol:	414.087016
ΔH_f, kcal/mol:	-193.83
Dipole, Da:	3.02
IP(EA), eV:	-8.64(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 5-chloro-1-hydroxy-4-[2-(methoxymethyl)phenyl]naphthalene-2,3-dicarboxylate

Drug info:

PubChemData

Smile

COC1=C[C@H]2[C@H]([C@H]3C=CC(=O)[C@@]2([C@@]3(CSC)OC)O)[C@](C1=O)(CSC)OC

DOS

IR

Vibrations