Geometry & MOs

Info

ID:

172688

PubChem CID:

75541886

Reduced:

OS2N4C16H16 (1)

Stoich.:

AB2C4D16E16 (1)

Weight, g/mol:

583.244934

ΔHf, kcal/mol:

68.44

Dipole, Da:

9.13

IP(EA), eV:

 -8.7(-1.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[3-(diaminomethylideneamino)-4-[3-[4,5-dihydroxy-3-(hydroxyamino)-6-(hydroxymethyl)oxan-2-yl]oxy-4-formyl-4-hydroxy-5-methyloxolan-2-yl]oxy-2,5,6-trihydroxycyclohexyl]guanidine

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)NC(=S)C(=NNC(=S)N)C2=CC=CC=C2

DOS

IR

Vibrations