Geometry & MOs

Info

ID:

186597

PubChem CID:

77451060

Reduced:

N3O8C31H35 (1)

Stoich.:

A3B8C31D35 (1)

Weight, g/mol:

680.17657

ΔHf, kcal/mol:

-244.46

Dipole, Da:

10.36

IP(EA), eV:

 -8.82(-1.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-amino-3-[4-[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-hydroxy-4-methoxycyclohexyl]-2-hydroxy-4-iodobutanamide

Drug info:

PubChemData

Smile

CN(C)C1C2CC3CC4=C(C5=C(C=C(C=C5)CNCC6CC6)C(=C4C(=C3C(=O)C2(C(=C(C1=O)C(=O)N)O)O)O)O)OC

DOS

IR

Vibrations