Geometry & MOs

Info

ID:

328009

PubChem CID:

126691725

Reduced:

N3F4O5C35H37 (1)

Stoich.:

A3B4C5D35E37 (1)

Weight, g/mol:

1010.630372

ΔHf, kcal/mol:

-361.52

Dipole, Da:

10.74

IP(EA), eV:

 -8.72(-1.19)

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,30R,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

CC1C(OC(=O)N1CC2=C(C(=CC(=N2)N3CCC3)C)C4=C(C=CC(=C4)C5CCC(CC5)C(=O)O)OC)C6=CC(=CC(=C6)F)C(F)(F)F

DOS

IR

Vibrations