Geometry & MOs

Info

ID:

325686

PubChem CID:

126684483

Reduced:

O4C25H42 (1)

Stoich.:

A4B25C42 (1)

Weight, g/mol:

897.623102

ΔHf, kcal/mol:

-185.96

Dipole, Da:

4.17

IP(EA), eV:

-8.76(0.53)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

(3aS,6aR)-3-[3-[(3aS,6aR)-3-(2-amino-1-ethoxypropan-2-yl)-4,6-dioxo-5-phenyl-1,3,3a,6a-tetrahydrofuro[3,4-c]pyrrol-1-yl]-2,3-dimethylbutan-2-yl]-5-hexadecyl-1-(2-methyl-1-phenylpropan-2-yl)-1,3,3a,6a-tetrahydrofuro[3,4-c]pyrrole-4,6-dione

Drug info:

PubChemData

Smile

C/C(=C\COCC(C)(CC(C)(C)C)C(C)(C)C)/C1=C(C=C(C=C1OC)OC)OC

DOS

IR

Vibrations