Geometry & MOs

Info

ID:

232340

PubChem CID:

87576010

Reduced:

O2C17H22 (1)

Stoich.:

A2B17C22 (1)

Weight, g/mol:

1025.436877

ΔHf, kcal/mol:

-22.95

Dipole, Da:

5.09

IP(EA), eV:

-9.38(-0.09)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

(2-methylpropan-2-yl)oxycarbonyl (2S)-2-amino-6-[[2-[1-[2-oxo-2-[(2S,4S)-2,5,12-trihydroxy-7-methoxy-4-[[(2S,4R,6S,7S,9R,10S)-10-methoxy-6-methyl-5,8,11-trioxa-1-azatricyclo[7.4.0.02,7]tridecan-4-yl]oxy]-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]ethoxy]cyclohexyl]oxyacetyl]amino]hexanoate

Drug info:

PubChemData

Smile

C/C=C/C=C.CC(=C)C(=O)O.C=CC1=CC=CC=C1

DOS

IR

Vibrations