Geometry & MOs

Info

ID:

219327

PubChem CID:

85098763

Reduced:

SN5O9C40H69 (1)

Stoich.:

AB5C9D40E69 (1)

Weight, g/mol:

797.253099

ΔHf, kcal/mol:

-472.99

Dipole, Da:

8.91

IP(EA), eV:

 -8.98(0.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

10-amino-3-[3-[3-(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy-4,5-dihydroxy-6-methyloxan-2-yl]oxy-4,5-dihydroxy-6-methyloxan-2-yl]oxy-15-methyl-18-oxapentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(19),2(7),3,5,9,12(20),13,15-octaene-8,11,17-trione

Drug info:

PubChemData

Smile

CCOC(C(CC(C)C)NC(=O)C(CCCN=C(N)NS(=O)(=O)C1=C(C2=C(C(=C1C)C)OC(CC2)(C)C)C)NC(=O)CCCCCCCC(=O)OC)OCC

DOS

IR

Vibrations