Geometry & MOs

Info

ID:

328011

PubChem CID:

126691727

Reduced:

N2F3O3H16C18 (2)

Stoich.:

A2B3C3D16E18 (2)

Weight, g/mol:

1010.630372

ΔHf, kcal/mol:

-470.11

Dipole, Da:

9.4

IP(EA), eV:

 -9.08(-1.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[N'-[(1R,12S,15R,16E,18R,19R,21R,23S,24E,26E,28Z,30S,32S,35R)-1,18-dihydroxy-12-[1-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]propan-2-yl]-19-methoxy-15,17,21,23,29,35-hexamethyl-2,3,10,14,20-pentaoxo-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraen-30-yl]carbamimidoyl]-1,1-dimethylguanidine

Drug info:

PubChemData

Smile

C[C@H]1C(OC(=O)N1CC2=NC(=NC=C2C3=C(C=CC(=C3)C4=C(C=C(C=C4)C(=O)O)C)OC)N5CCOCC5)C6=CC(=CC(=C6)C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations