Geometry & MOs

Info

ID:

186392

PubChem CID:

77426884

Reduced:

SN5O7C35H51 (1)

Stoich.:

AB5C7D35E51 (1)

Weight, g/mol:

607.354091

ΔHf, kcal/mol:

-328.89

Dipole, Da:

9.91

IP(EA), eV:

 -8.93(-0.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-amino-N'-[5-amino-2-[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[3-amino-6-[(2-hydroxyethylamino)methyl]oxan-2-yl]oxy-3-hydroxycyclohexyl]-1-hydroxycyclobutane-1-carboximidamide

Drug info:

PubChemData

Smile

CC1=C(C(=C(C2=C1OC(C2)(C)C)C)S(=O)(=O)NC(=NCCCC(C(=O)NC(C)CC3=CC=CC=C3)NC(=O)CC(=O)OC(C)(C)C)N)C

DOS

IR

Vibrations