Geometry & MOs

Info

ID:

1074

PubChem CID:

3755

Reduced:

N5O12C22H43 (1)

Stoich.:

A5B12C22D43 (1)

Weight, g/mol:

569.290822

ΔHf, kcal/mol:

-546.86

Dipole, Da:

7.81

IP(EA), eV:

 -9.39(0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-amino-N-[5-amino-4-[6-(aminomethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-2-[3,5-dihydroxy-5-methyl-4-(methylamino)oxan-2-yl]oxy-3-hydroxycyclohexyl]-2-hydroxypropanamide

Drug info:

PubChemData

Smile

CC1(COC(C(C1NC)O)OC2C(CC(C(C2O)OC3C(C(C(C(O3)CN)O)O)O)N)NC(=O)C(CN)O)O

DOS

IR

Vibrations