Geometry & MOs

Info

ID:

186394

PubChem CID:

77426886

Reduced:

N5O15C38H67 (1)

Stoich.:

A5B15C38D67 (1)

Weight, g/mol:

689.405852

ΔHf, kcal/mol:

-731.31

Dipole, Da:

7.84

IP(EA), eV:

 -9.26(0.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-amino-N-[5-[3-amino-6-[(2,3,4-trihydroxybutylamino)methyl]oxan-2-yl]oxy-3-[2,4-dihydroxy-1-methoxy-3-(methylamino)pentoxy]-4-hydroxyhexan-2-yl]-2,3,4-trihydroxypentanamide

Drug info:

PubChemData

Smile

CC1(OCC(O1)CN(CC2CCC=C(O2)OC3C(CC(C(C3O)OC4C(C(C(CO4)(C)O)N(C)C(=O)OC(C)(C)C)O)NC(=O)C(CN)O)N)C(=O)OC(C)(C)C)C

DOS

IR

Vibrations