Geometry & MOs

Info

ID:

214718

PubChem CID:

85083476

Reduced:

FN5O5H31C32 (1)

Stoich.:

AB5C5D31E32 (1)

Weight, g/mol:

585.236267

ΔHf, kcal/mol:

-117.28

Dipole, Da:

4.0

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.800654

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl 8-[(2-acetyloxy-2-phenylacetyl)oxymethyl]-1-methyl-4-phenylmethoxy-7,8-dihydrofuro[3,2-e]indole-6-carboxylate

Drug info:

PubChemData

Smile

CCCC[N+]1=C2C(=NC(=N2)CC3=CC=C(C=C3)NC(=O)C4=CC(=C(C=C4)OC)OC)C(=O)N(C1=O)CC5=CC=CC=C5F

DOS

IR

Vibrations