Geometry & MOs

Info

ID:

80007

PubChem CID:

49832168

Reduced:

BN3O6C23H24 (1)

Stoich.:

AB3C6D23E24 (1)

Weight, g/mol:

611.301387

ΔHf, kcal/mol:

-247.99

Dipole, Da:

6.64

IP(EA), eV:

 -9.48(-0.91)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-amino-N-[(1R,2S,3S,4R,5S)-5-amino-2-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2R,3R,4S,5S,6R)-6-(ethylaminomethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-3-hydroxycyclohexyl]-1-hydroxycyclopropane-1-carboxamide

Drug info:

PubChemData

Smile

B([C@H](CC1=C(C(=CC=C1)C(=O)O)O)NC(=O)C2=CC=C(C=C2)CNCC3=CN=CC=C3)(O)O

DOS

IR

Vibrations