Geometry & MOs

Info

ID:

446109

PubChem CID:

135272431

Reduced:

FN4O15C40H49 (1)

Stoich.:

AB4C15D40E49 (1)

Weight, g/mol:

1000.395346

ΔHf, kcal/mol:

-666.54

Dipole, Da:

8.48

IP(EA), eV:

 -9.87(-0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(6S,11R)-9-[[(9S)-12-[(2R)-2-acetyloxy-3-methyl-4,6-bis(phenylmethoxycarbonylamino)cyclohexyl]oxy-5,11-dimethyl-4-oxo-3,8,13-trioxa-5-azatricyclo[7.4.0.02,6]tridecan-7-yl]oxy]-2-oxo-4,8-dioxa-1-azaspiro[5.5]undecan-11-yl] benzoate

Drug info:

PubChemData

Smile

CC1C[C@H]2C(C3C(C(O2)OC4C(C[C@H]5C(O4)COC(=O)N5)O)N(C(=O)O3)C)OC1OC6[C@@H](C(C(CC6NC(=O)OCC7=CC=CC=C7)NC(=O)OCC8=CC=CC=C8)O)F

DOS

IR

Vibrations