Geometry & MOs

Info

ID:

19999

PubChem CID:

576488

Reduced:

N5O8C21H39 (1)

Stoich.:

A5B8C21D39 (1)

Weight, g/mol:

489.279863

ΔHf, kcal/mol:

-361.89

Dipole, Da:

6.72

IP(EA), eV:

 -9.13(0.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[6-(aminomethyl)-2-[4,6-diamino-3-[3,5-dihydroxy-5-methyl-4-(methylamino)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-3,4-dihydro-2H-pyran-3-yl]acetamide

Drug info:

PubChemData

Smile

CC(=O)NC1CC=C(OC1OC2C(CC(C(C2O)OC3C(C(C(CO3)(C)O)NC)O)N)N)CN

DOS

IR

Vibrations