Geometry & MOs

Info

ID:	440479
PubChem CID:	135230464
Reduced:	ClSN8C19H19 (1)
Stoich.:	ABC8D19E19 (1)
Weight, g/mol:	540.22966
ΔH_f, kcal/mol:	180.89
Dipole, Da:	7.28
IP(EA), eV:	-8.85(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopropyl-2-[5-[[(4R,5S)-5-(3,4-difluorophenyl)-2-ethyl-1,2-oxazolidin-4-yl]carbamoylamino]-4-methyl-1-phenylpyrazol-3-yl]oxyacetamide

Drug info:

PubChemData

Smile

CN1C(=NN=N1)N2C3=C(C(=CC=C3)Cl)N=C2SCC4=NC(=CC=C4)NCC5CC5

DOS

IR

Vibrations