Geometry & MOs

Info

ID:

379113

PubChem CID:

134352421

Reduced:

O6C17H18 (2)

Stoich.:

A6B17C18 (2)

Weight, g/mol:

743.274301

ΔHf, kcal/mol:

-426.92

Dipole, Da:

4.18

IP(EA), eV:

 -9.33(-0.93)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(1R)-1-[(3S,4S,9S,13S,16S)-3-[3-(3,5-difluorophenyl)propanoylamino]-4,9,13,17-tetramethyl-2,6,12,15,18-pentaoxo-5-oxa-1,11,14,17-tetrazatricyclo[17.3.0.07,11]docosan-16-yl]ethyl] dihydrogen phosphate

Drug info:

PubChemData

Smile

CCC(=O)C1=C(C=CC(=C1)OC(=O)C2CCC(CC2)C(=O)OC3=CC(=C(C=C3)OC(=O)C=C)C(=O)OCCOCC)OC(=O)C=C

DOS

IR

Vibrations