Geometry & MOs

Info

ID:

437487

PubChem CID:

135226412

Reduced:

FO4N11C35H40 (1)

Stoich.:

AB4C11D35E40 (1)

Weight, g/mol:

753.319872

ΔHf, kcal/mol:

-10.05

Dipole, Da:

8.36

IP(EA), eV:

 -8.94(-0.85)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

benzyl 4-[5-[5-[[(4R,5S)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]pyrimidin-2-yl]piperazine-1-carboxylate

Drug info:

PubChemData

Smile

CC1=C(N(N=C1C2=CN=C3C(=C2)C=NN3CC(=O)N4CCN(CC4)C)C5=CC=CC=C5)NC(=O)N[C@@H]6CN(O[C@H]6C7=CC(=NC=C7)F)CCOC

DOS

IR

Vibrations