Geometry & MOs

Info

ID:

186594

PubChem CID:

77450892

Reduced:

O3N6C24H34 (1)

Stoich.:

A3B6C24D34 (1)

Weight, g/mol:

813.396743

ΔHf, kcal/mol:

-41.79

Dipole, Da:

6.76

IP(EA), eV:

 -8.39(-1.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl 3-[[5-amino-4-[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-[4-[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-hydroxycyclohexyl]carbamoyl]-3-hydroxyazetidine-1-carboxylate

Drug info:

PubChemData

Smile

C1CC2C(CC1CCCCO)NNC2C3=CN(N=N3)C4=CC=C(C=C4)C(=O)N5CCOCC5

DOS

IR

Vibrations