Geometry & MOs

Info

ID:

191410

PubChem CID:

78143972

Reduced:

N2F3O6C29H31 (1)

Stoich.:

A2B3C6D29E31 (1)

Weight, g/mol:

708.3523

ΔHf, kcal/mol:

-358.71

Dipole, Da:

2.4

IP(EA), eV:

 -8.48(-0.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3-[4-(4-benzyl-1,4-diazepane-1-carbonyl)oxyphenyl]-5-hydroxy-4-oxo-4a,5,6,7,8,8a-hexahydrochromen-7-yl] 4-benzyl-1,4-diazepane-1-carboxylate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=COC3CC(CCC3C2=O)OC(=O)N4CCN(CC4)CC5=CC=CC=C5OC(F)(F)F

DOS

IR

Vibrations