Geometry & MOs

Info

ID:

80437

PubChem CID:

49834453

Reduced:

BN3O6C15H16 (1)

Stoich.:

AB3C6D15E16 (1)

Weight, g/mol:

605.374826

ΔHf, kcal/mol:

-276.69

Dipole, Da:

9.9

IP(EA), eV:

 -8.89(-0.89)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-4-amino-N-[(1R,2S,3S,4R,5S)-5-amino-4-[[(2S,3R)-6-(aminomethyl)-3-[[(2S)-2-aminopropyl]amino]-3,4-dihydro-2H-pyran-2-yl]oxy]-2-[(2R,3R,4R,5R)-3,5-dihydroxy-5-methyl-4-(methylamino)oxan-2-yl]oxy-3-hydroxycyclohexyl]-2-hydroxybutanamide

Drug info:

PubChemData

Smile

B([C@H](CC1=C(C(=CC=C1)C(=O)O)O)NC(=O)C2=CC(=NC=C2)N)(O)O

DOS

IR

Vibrations