Geometry & MOs

Info

ID:

190741

PubChem CID:

78050279

Reduced:

N4O15C41H74 (1)

Stoich.:

A4B15C41D74 (1)

Weight, g/mol:

565.307141

ΔHf, kcal/mol:

-802.26

Dipole, Da:

6.19

IP(EA), eV:

 -9.2(0.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-amino-4-[3-amino-6-(aminomethyl)oxan-2-yl]oxy-2-[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxycyclohexyl]-4-hydroxypyrazolidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNCC1CCC(C(O1)OC2C(CC(C(C2O)OC3C(C(C(CO3)(C)O)CC(=O)OC(C)(C)C)O)NC(=O)C(CNC(=O)OC(C)(C)C)O)NC(=O)OC(C)(C)C)C

DOS

IR

Vibrations