Geometry & MOs

Info

ID:

437443

PubChem CID:

135226306

Reduced:

O3F4N9H29C30 (1)

Stoich.:

A3B4C9D29E30 (1)

Weight, g/mol:

624.233031

ΔHf, kcal/mol:

-131.96

Dipole, Da:

10.87

IP(EA), eV:

 -9.19(-1.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[(4R,5S)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-3-[5-[4-[[dimethyl(oxo)-lambda6-sulfanylidene]amino]phenyl]-4-methyl-2-phenylpyrazol-3-yl]urea

Drug info:

PubChemData

Smile

CC1=C(N(N=C1C2=CC3=C(N=C2)N(C(=N3)C(F)(F)F)C)C4=CC=CC=C4)NC(=O)N[C@@H]5CN(O[C@H]5C6=CC(=NC=C6)F)CCOC

DOS

IR

Vibrations