Geometry & MOs

Info

ID:	380194
PubChem CID:	134970551
Reduced:	NO3H23C26 (1)
Stoich.:	AB3C23D26 (1)
Weight, g/mol:	398.158552
ΔH_f, kcal/mol:	-38.07
Dipole, Da:	7.57
IP(EA), eV:	-9.33(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (5R,6R)-6-(1,3-dithian-2-yl)-3-hydroxy-4-methyl-5-phenylmethoxyheptanoate

Drug info:

PubChemData

Smile

C1CC(=O)N([C@@H]1C2=CC=C(C=C2)O)C(=O)[C@]3(C[C@@H]3C4=CC=CC=C4)C5=CC=CC=C5

DOS

IR

Vibrations