Geometry & MOs

Info

ID:

167421

PubChem CID:

74826475

Reduced:

SN8O14C31H52 (1)

Stoich.:

AB8C14D31E52 (1)

Weight, g/mol:

441.127776

ΔHf, kcal/mol:

-665.91

Dipole, Da:

4.84

IP(EA), eV:

 -8.85(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[3-[[4-[(7-chloro-1,3-benzothiazol-2-yl)oxy]phenyl]methylamino]-8-azabicyclo[3.2.1]octan-8-yl]ethanone

Drug info:

PubChemData

Smile

CC(C)C(C(=O)NC(C)C(=O)NC(CCC(=O)N)C(=O)NC(CCSC)C(=O)NC(C(C)O)C(=O)NC(CCC(=O)O)C(=O)NC(CC(=O)O)C(=O)O)N

DOS

IR

Vibrations