Geometry & MOs

Info

ID:

440510

PubChem CID:

135230496

Reduced:

O3F4N7C27H27 (1)

Stoich.:

A3B4C7D27E27 (1)

Weight, g/mol:

612.287175

ΔHf, kcal/mol:

-148.93

Dipole, Da:

6.67

IP(EA), eV:

 -8.76(-1.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[(4R,5S)-5-(3,4-difluorophenyl)-2-ethyl-1,2-oxazolidin-4-yl]-3-[5-[[1-(2-methoxyacetyl)piperidin-4-yl]methoxy]-4-methyl-2-phenylpyrazol-3-yl]urea

Drug info:

PubChemData

Smile

CC1=C(N(N=C1C2=CN(N=C2)C)C3=CC(=C(C=C3)F)F)NC(=O)N[C@@H]4CN(O[C@H]4C5=CC(=C(C=C5)F)F)CCOC

DOS

IR

Vibrations