Geometry & MOs

Info

ID:

223921

PubChem CID:

85335783

Reduced:

SN5O8C38H45 (1)

Stoich.:

AB5C8D38E45 (1)

Weight, g/mol:

731.32441

ΔHf, kcal/mol:

-243.27

Dipole, Da:

5.46

IP(EA), eV:

 -8.99(-1.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[15-(4-bromobutoxymethyl)-6-[4-(dimethylamino)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-16-ethyl-4-hydroxy-5,9,13-trimethyl-2,10-dioxo-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehyde

Drug info:

PubChemData

Smile

CC(=O)NC1=NC(=CS1)C2=NC3=C(C=CC(=C3)OC)C(=C2)OC4CC5C(=O)NC6(CC6C=CCCCCCC(C(=O)N5C4)OC7CCCC7)C(=O)O

DOS

IR

Vibrations