Geometry & MOs

Info

ID:

222990

PubChem CID:

85333690

Reduced:

O3N5C21H30 (2)

Stoich.:

A3B5C21D30 (2)

Weight, g/mol:

805.497627

ΔHf, kcal/mol:

-228.52

Dipole, Da:

1.53

IP(EA), eV:

 -8.34(-0.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

17,27-diethyl-1,14-dihydroxy-12-[1-(4-hydroxy-3-methoxycyclohexyl)prop-1-en-2-yl]-23,25-dimethoxy-13,19,21-trimethyl-11,28-dioxa-4-azatricyclo[22.3.1.04,9]octacos-18-ene-2,3,10,16-tetrone

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)NC(C(C)C)C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)NC(C)C(=O)N)NC(=O)C(CCCCN)N

DOS

IR

Vibrations