Geometry & MOs

Info

ID:

397767

PubChem CID:

135030705

Reduced:

NO9C31H45 (1)

Stoich.:

AB9C31D45 (1)

Weight, g/mol:

653.21994

ΔHf, kcal/mol:

-374.49

Dipole, Da:

5.27

IP(EA), eV:

 -9.37(-0.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(Z,2S)-6-[(9R,11R,14E,16S,18E)-10-bromo-17-hydroxy-6-methoxy-4,9,16,19-tetramethyl-13-oxo-8,12,22-trioxa-23-azatricyclo[18.2.1.07,11]tricosa-1(23),14,18,20-tetraen-9-yl]-2-hydroxy-2-methylhex-4-enoic acid

Drug info:

PubChemData

Smile

C[C@H]1/C=C/C(=O)O[C@H](C(C(CC(CCC2=NC(=CO2)/C(=C/C1O)/C)C)OC)O)/C=C(\C)/C/C=C\C[C@@](C)(C(=O)O)O

DOS

IR

Vibrations