Geometry & MOs

Info

ID:

379114

PubChem CID:

134352426

Reduced:

PF2N5O11C32H44 (1)

Stoich.:

AB2C5D11E32F44 (1)

Weight, g/mol:

919.332878

ΔHf, kcal/mol:

-635.98

Dipole, Da:

7.61

IP(EA), eV:

 -9.41(-0.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(3S,5R,9S,10S,13S,15R,19S,22S)-9-[[(2S)-3-(3,5-difluorophenyl)-2-[(3,4-dimethylphenyl)carbamoylamino]propanoyl]amino]-10,15,19-trimethyl-2,8,12,18,21-pentaoxo-11,24-dioxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-5-yl] dihydrogen phosphate

Drug info:

PubChemData

Smile

C[C@H]1CC2C(=O)O[C@H]([C@@H](C(=O)N3CCCC3C(=O)N([C@H](C(=O)N[C@H](C(=O)N2C1)C)[C@@H](C)OP(=O)(O)O)C)NC(=O)CCC4=CC(=CC(=C4)F)F)C

DOS

IR

Vibrations