Geometry & MOs

Info

ID:

215311

PubChem CID:

85084528

Reduced:

N5O8C15H26 (2)

Stoich.:

A5B8C15D26 (2)

Weight, g/mol:

808.424521

ΔHf, kcal/mol:

-735.32

Dipole, Da:

5.25

IP(EA), eV:

 -9.76(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[2-[(11-carboxy-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl)oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)NC(CO)C(=O)NCC(=O)NC(CO)C(=O)NCC(=O)NC(CO)C(=O)NCC(=O)NCC(=O)NC(CO)C(=O)NC(C(C)O)C(=O)O)N

DOS

IR

Vibrations