Geometry & MOs

Info

ID:

215015

PubChem CID:

85083999

Reduced:

N2O3C11H14 (3)

Stoich.:

A2B3C11D14 (3)

Weight, g/mol:

666.445532

ΔHf, kcal/mol:

-310.4

Dipole, Da:

9.83

IP(EA), eV:

 -9.72(-0.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[7,10-dihydroxy-2-[6-hydroxy-7-[3-(3-hydroxypentan-2-yl)oxiran-2-yl]-6-methylhepta-2,4-dien-2-yl]-3,7-dimethyl-12-oxo-1-oxacyclododec-4-en-6-yl] N-[2-(diethylamino)ethyl]-N-methylcarbamate

Drug info:

PubChemData

Smile

CC(C)C(C(=O)NC(C)C(=O)NC(CC(=O)O)C(=O)NNC(=O)C1C(O1)C(=O)C(CC2=CC=CC=C2)N)NC(=O)CCC3=CC=CC=C3

DOS

IR

Vibrations