Geometry & MOs

Info

ID:

446085

PubChem CID:

135272271

Reduced:

NO3C8H9 (1)

Stoich.:

AB3C8D9 (1)

Weight, g/mol:

800.27449

ΔHf, kcal/mol:

-47.65

Dipole, Da:

3.84

IP(EA), eV:

 -10.62(-0.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

benzyl N-[(3S)-4-[[(9S)-7-[(4S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-5,11-dimethyl-4-oxo-3,8,13-trioxa-5-azatricyclo[7.4.0.02,6]tridecan-12-yl]oxy]-3-hydroxy-2-iodo-5-methylcyclohexyl]carbamate

Drug info:

PubChemData

Smile

C#CCCC(=O)C1C(O1)C(=O)N

DOS

IR

Vibrations