Geometry & MOs

Info

ID:

436351

PubChem CID:

135199279

Reduced:

SN5H31C43 (1)

Stoich.:

AB5C31D43 (1)

Weight, g/mol:

385.206465

ΔHf, kcal/mol:

339.15

Dipole, Da:

4.01

IP(EA), eV:

 -8.15(-1.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2S,3R)-3-(2,4-difluorophenyl)-4-methylpentan-2-yl] (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

Drug info:

PubChemData

Smile

CC1CC=CC2=C1SC3=C2C=CC4=C3C5=CC=CC=C5N=C4C6=CC=C(C=C6)C7=NC=C(C=N7)C8=C9C=CC=NC9=C1C(=C8)C=CCN1C

DOS

IR

Vibrations