Geometry & MOs

Info

ID:

80107

PubChem CID:

49832990

Reduced:

SN5O5C18H31 (2)

Stoich.:

AB5C5D18E31 (2)

Weight, g/mol:

364.124549

ΔHf, kcal/mol:

-467.5

Dipole, Da:

12.27

IP(EA), eV:

 -9.16(-0.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2-(piperidin-1-ylmethyl)-1-benzofuran-5-yl]oxy]-1,3-benzothiazole

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C[C@@H](C(=O)N[C@@H](CS)C(=O)N[C@@H](CS)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)[C@H](CCCCN)N)O

DOS

IR

Vibrations