Geometry & MOs

Info

ID:

176300

PubChem CID:

76030273

Reduced:

N2O7C27H34 (1)

Stoich.:

A2B7C27D34 (1)

Weight, g/mol:

478.279135

ΔHf, kcal/mol:

-238.98

Dipole, Da:

5.18

IP(EA), eV:

 -8.61(-0.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

8-[2-(cyclohexylmethylamino)-2-oxoethyl]-N-(3,5-dimethyl-1,2-oxazol-4-yl)-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=CC=C1CNC(=O)CC2CCC3C(O2)COCC(CN3CC4=CC5=C(C=C4)OCO5)O

DOS

IR

Vibrations