Geometry & MOs

Info

ID:

323497

PubChem CID:

126675036

Reduced:

SF2O3N7H21C25 (1)

Stoich.:

AB2C3D7E21F25 (1)

Weight, g/mol:

611.31262

ΔHf, kcal/mol:

-42.35

Dipole, Da:

6.26

IP(EA), eV:

 -9.56(-1.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-4-amino-N-[(1R,4R)-5-amino-4-[(2S,5S)-3-amino-4,5-dihydroxy-6-[(1R)-1-hydroxyethyl]oxan-2-yl]oxy-3-[(2S,5R)-5-[(diaminomethylideneamino)methyl]-3,4-dihydroxyoxolan-2-yl]oxy-2-hydroxycyclohexyl]-2-hydroxybutanamide

Drug info:

PubChemData

Smile

C1CC1(C#N)NC(=O)C2(CCC(CC2)(F)F)NC(=O)C3=CC4=C(O3)C=C(C=C4)C5=CSC(=N5)N6C=NC=N6

DOS

IR

Vibrations