Geometry & MOs

Info

ID:

167491

PubChem CID:

74835923

Reduced:

N2O9C37H42 (1)

Stoich.:

A2B9C37D42 (1)

Weight, g/mol:

718.292402

ΔHf, kcal/mol:

-341.5

Dipole, Da:

4.59

IP(EA), eV:

 -8.85(-0.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 3-(2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)-3-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methylsulfanylbutanoyl]amino]propanoate

Drug info:

PubChemData

Smile

CCOC(=O)CC(C1C(C2C(O1)OC(O2)(C)C)OCC3=CC=CC=C3)NC(=O)C(C)NC(=O)OCC4C5=CC=CC=C5C6=CC=CC=C46

DOS

IR

Vibrations