Geometry & MOs

Info

ID:	313316
PubChem CID:	126613724
Reduced:	SN4O6C22H26 (1)
Stoich.:	AB4C6D22E26 (1)
Weight, g/mol:	442.271924
ΔH_f, kcal/mol:	-195.86
Dipole, Da:	5.72
IP(EA), eV:	-8.6(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2,6-bis(methoxymethyl)phenyl] 3-[4-(2,5-dimethylhexan-3-yl)phenoxy]propanoate

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)CNC(=O)C2=C(SC(=N2)[C@H]3CCCN3C(=O)O)NC(=O)C4CC4)OC

DOS

IR

Vibrations