Geometry & MOs

Info

ID:

182000

PubChem CID:

76825652

Reduced:

FN2O5C33H39 (1)

Stoich.:

AB2C5D33E39 (1)

Weight, g/mol:

1120.553265

ΔHf, kcal/mol:

-234.12

Dipole, Da:

4.91

IP(EA), eV:

 -8.37(-0.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[26-[[[4-[[1-(9-cyclopropyl-3-fluoro-1,7-dimethyl-6-oxoquinolizin-2-yl)pyrrolidin-3-yl]methyl]piperazin-1-yl]amino]methylidene]-2,15,17,29-tetrahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23,27-trioxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(28),2,4,9,19,21,25(29)-heptaen-13-yl] acetate

Drug info:

PubChemData

Smile

CC(C)C1=C(C(C(N1CCC(CC(CC(O)O)O)O)C2=CC=C(C=C2)F)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4

DOS

IR

Vibrations