Geometry & MOs

Info

ID:

224169

PubChem CID:

85339043

Reduced:

SO12N13C34H57 (1)

Stoich.:

AB12C13D34E57 (1)

Weight, g/mol:

887.503106

ΔHf, kcal/mol:

-528.23

Dipole, Da:

8.83

IP(EA), eV:

 -8.91(-0.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CSCCC(C(=O)NC(CCC(=O)O)C(=O)NC(CC1=CN=CN1)C(=O)NC(CC(=O)O)C(=O)NCC(=O)O)NC(=O)C(CCCCN)NC(=O)C(CCCN=C(N)N)N

DOS

IR

Vibrations