Geometry & MOs

Info

ID:

80087

PubChem CID:

49832816

Reduced:

SO5N6C15H29 (2)

Stoich.:

AB5C6D15E29 (2)

Weight, g/mol:

406.146347

ΔHf, kcal/mol:

-466.02

Dipole, Da:

17.63

IP(EA), eV:

 -9.14(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[[6-(1,3-benzothiazol-2-yloxy)-1H-indol-2-yl]methyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

C(CCN)C[C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)N[C@@H](CS)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)O)N

DOS

IR

Vibrations