Geometry & MOs

Info

ID:

326537

PubChem CID:

126687737

Reduced:

FN7C29H38 (1)

Stoich.:

AB7C29D38 (1)

Weight, g/mol:

803.481977

ΔHf, kcal/mol:

52.38

Dipole, Da:

4.56

IP(EA), eV:

 -7.88(-0.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1R,9S,12S,13R,14S,17R,18E,21S,23S,24R,27R)-1,14-dihydroxy-12-[(E)-1-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]prop-1-en-2-yl]-23,25-dimethoxy-13,19,21,27-tetramethyl-17-prop-2-enyl-11,28-dioxa-4-azatricyclo[22.3.1.04,9]octacos-18-ene-2,3,10,16-tetrone

Drug info:

PubChemData

Smile

CCN1CC(C1)CNC2=CN=C(C=C2)[C@H](C)C3=NC=C(C(=N3)C4CC(=C5C(=C4)N(C(=N5)C)C(C)C)C)F

DOS

IR

Vibrations