Geometry & MOs

Info

ID:

177326

PubChem CID:

76167306

Reduced:

NO8C25H42 (2)

Stoich.:

AB8C25D42 (2)

Weight, g/mol:

982.597735

ΔHf, kcal/mol:

-710.86

Dipole, Da:

2.49

IP(EA), eV:

 -7.45(-0.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[6-[4-(dimethylamino)-6-[[10-[5-(dimethylamino)-6-methyloxan-2-yl]oxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)-4-propanoyloxy-1-oxacyclohexadeca-11,13-dien-6-yl]oxy]-5-hydroxy-2-methyloxan-3-yl]oxy-4-hydroxy-2,4-dimethyloxan-3-yl] 3-methylbutanoate

Drug info:

PubChemData

Smile

CC1CC=CC=CC(C(CC(C(C(C(CC(=O)O1)OC(=O)C)OC)OC2C(C(C(C(O2)C)OC3CC(C(C(O3)C)OC(=O)CC(C)C)(C)O)N(C)C)O)CC=O)C)OC4CCC(C(O4)C)N(C)C

DOS

IR

Vibrations