Geometry & MOs

Info

ID:	406460
PubChem CID:	135077672
Reduced:	NO2C22H25 (1)
Stoich.:	AB2C22D25 (1)
Weight, g/mol:	565.15928
ΔH_f, kcal/mol:	-58.5
Dipole, Da:	2.37
IP(EA), eV:	-9.48(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-6-(hydroxymethyl)-4,5-bis(phenylmethoxy)oxan-3-yl] benzoate

Drug info:

PubChemData

Smile

CC(C)[C@H]1CO[C@]2(N1C(=O)[C@@H](C2)CC3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations