Geometry & MOs

Info

ID:

59574

PubChem CID:

24875324

Reduced:

NSO11C19H23 (1)

Stoich.:

ABC11D19E23 (1)

Weight, g/mol:

500.109205

ΔHf, kcal/mol:

-448.96

Dipole, Da:

10.12

IP(EA), eV:

 -9.52(-1.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[[(2R,4S)-2-[2-(4-chlorophenyl)ethyl]-4-(naphthalen-2-ylsulfanylmethyl)-1,3-dioxolan-2-yl]methyl]imidazole;hydrochloride

Drug info:

PubChemData

Smile

CC1=CC(=O)OC2=C1C=CC(=C2)O[C@H]3C([C@@H]([C@@H](C(O3)(C)COS(=O)(=O)O)O)O)NC(=O)C

DOS

IR

Vibrations