Geometry & MOs

Info

ID:

45183

PubChem CID:

10508856

Reduced:

PN3C13H24 (1)

Stoich.:

AB3C13D24 (1)

Weight, g/mol:

694.236282

ΔHf, kcal/mol:

20.91

Dipole, Da:

11.18

IP(EA), eV:

 -6.84(0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-(2,4-difluorophenyl)-3-fluoro-2-[(2S,4S)-2-methyl-4-[[(2S)-2-[[(2R)-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoyl]amino]pyrrolidin-1-yl]-6-oxopyrido[1,2-a]pyrimidine-7-carboxylic acid

Drug info:

PubChemData

Smile

CN(C)[P+](/C=C/[C]1[CH][CH][CH][CH]1)(N(C)C)N(C)C

DOS

IR

Vibrations