Geometry & MOs

Info

ID:

185860

PubChem CID:

77360915

Reduced:

FN3O7C29H36 (1)

Stoich.:

AB3C7D29E36 (1)

Weight, g/mol:

626.323519

ΔHf, kcal/mol:

-292.45

Dipole, Da:

10.67

IP(EA), eV:

 -9.23(-1.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)CN(CC1=CC(=C2C(=C1F)CC3CC4C(C(=O)C(=C(C4(C(=O)C3=C2O)O)O)C(=O)N)N(C)C)O)C5CC5

DOS

IR

Vibrations