Geometry & MOs

Info

ID:

84802

PubChem CID:

49869989

Reduced:

SO8N9C40H51 (1)

Stoich.:

AB8C9D40E51 (1)

Weight, g/mol:

550.343814

ΔHf, kcal/mol:

-267.71

Dipole, Da:

10.54

IP(EA), eV:

 -8.68(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (2E,5S,6S,7E,9Z,11Z)-13-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-5-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-6,8-dimethyl-13-oxotrideca-2,7,9,11-tetraenoate

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)N1CCC[C@H]1C2=NC=C(N2)C3=CC=C(C=C3)C4=CC=C(C=C4)C5=CN=C(N5)[C@@H]6CN(CN6C(=O)[C@H](C(C)C)NC(=O)OC)S(=O)(=O)C)NC(=O)OC

DOS

IR

Vibrations