Geometry & MOs

Info

ID:

169443

PubChem CID:

75104756

Reduced:

N2O23C45H80 (1)

Stoich.:

A2B23C45D80 (1)

Weight, g/mol:

449.219368

ΔHf, kcal/mol:

-1087.33

Dipole, Da:

4.48

IP(EA), eV:

 -9.67(0.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-benzyl-N-(1-carbamimidoyl-2-hydroxypiperidin-3-yl)-5-oxo-2,3,6,7,8,8a-hexahydro-1H-indolizine-3-carboxamide;hydrochloride

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCC=CC(C(COC1C(C(C(C(O1)CO)OC2C(C(C(C(O2)CO)O)OC3C(C(C(C(O3)CO)OC4C(C(C(C(O4)CO)O)O)O)O)NC(=O)C)O)O)O)NC=O)O

DOS

IR

Vibrations