Geometry & MOs

Info

ID:

190380

PubChem CID:

77994312

Reduced:

Cl2N5O5C38H38 (1)

Stoich.:

A2B5C5D38E38 (1)

Weight, g/mol:

834.466661

ΔHf, kcal/mol:

-121.31

Dipole, Da:

2.88

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.859421

Charge, e:

 0

Chem-info

IUPAC name:

[3,4-diacetyloxy-5-(benzylcarbamoylamino)-6-(5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl)oxyoxan-2-yl]methyl acetate

Drug info:

PubChemData

Smile

CC(C)OC(=O)C1=CC=C(C=C1)NC(=O)NC(CC2=CC=C(C=C2)O)C(=O)NCC3=[N+](C=CN3CC4=CC=C(C=C4)Cl)CC5=CC=C(C=C5)Cl

DOS

IR

Vibrations