Geometry & MOs

Info

ID:

397263

PubChem CID:

135029970

Reduced:

NO3C26H41 (1)

Stoich.:

AB3C26D41 (1)

Weight, g/mol:

811.465933

ΔHf, kcal/mol:

-185.19

Dipole, Da:

2.19

IP(EA), eV:

 -9.72(-0.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

benzyl (2S,3S,4R)-3-[(2S)-2-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]-2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]oxy-2,4,16-trimethylheptadecanoate

Drug info:

PubChemData

Smile

CC(C)CCCCCCCCCCCCC(=O)N1[C@@H](COC1=O)CC2=CC=CC=C2

DOS

IR

Vibrations