Geometry & MOs

Info

ID:

215440

PubChem CID:

85084735

Reduced:

SN11O11C41H63 (1)

Stoich.:

AB11C11D41E63 (1)

Weight, g/mol:

916.333425

ΔHf, kcal/mol:

-485.96

Dipole, Da:

6.99

IP(EA), eV:

 -8.85(-0.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 10-[4,5-diacetyloxy-6-(acetyloxymethyl)-3-(2,2,2-trichloroacetyl)oxyoxan-2-yl]oxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylate

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)NC(CCCCN)C(=O)NC(CCSC)C(=O)NC(CC1=CN=CN1)C(=O)O)NC(=O)C(CC(=O)N)NC(=O)C(CC2=CC=CC=C2)NC(=O)C(CCC(=O)O)N

DOS

IR

Vibrations