Geometry & MOs

Info

ID:

219305

PubChem CID:

85098627

Reduced:

ClN3O9C40H48 (1)

Stoich.:

AB3C9D40E48 (1)

Weight, g/mol:

750.460788

ΔHf, kcal/mol:

-351.19

Dipole, Da:

2.75

IP(EA), eV:

 -8.79(-0.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-(7,24-dihydroxy-3,4,8,20,20,22,22-heptamethyl-27-oxo-28-prop-1-en-2-yl-21-oxa-1-azaoctacyclo[13.13.1.02,14.03,12.04,9.017,25.018,23.026,29]nonacosa-2(14),15,17(25),18,26(29)-pentaen-8-yl)-N-(3-methoxypropyl)-2-methylpenta-2,4-dienamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC(CN(C(CCCCNC(=O)OC(C1=CC=CC=C1)Cl)C(=O)OCC=C)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)CO

DOS

IR

Vibrations