Geometry & MOs

Info

ID:

146212

PubChem CID:

53651169

Reduced:

N5O6C29H42 (1)

Stoich.:

A5B6C29D42 (1)

Weight, g/mol:

606.290733

ΔHf, kcal/mol:

-142.71

Dipole, Da:

5.55

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.825134

Charge, e:

 0

Chem-info

IUPAC name:

(5R,10R)-10-(aminomethyl)-18-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-16-methoxy-15-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-12-oxa-3-thia-6-azabicyclo[12.4.0]octadeca-1(18),14,16-triene-7,13-dione

Drug info:

PubChemData

Smile

CCCCN(C(=O)CN1C[C@@H](C([C@@H]1CCC2=NC=NC=C2)C(=O)O)C3=CC4=C(C=C3)OCO4)OCC[N+](C)(C)C

DOS

IR

Vibrations