Geometry & MOs

Info

ID:	440452
PubChem CID:	135230429
Reduced:	BrSN7H12C15 (1)
Stoich.:	ABC7D12E15 (1)
Weight, g/mol:	553.244895
ΔH_f, kcal/mol:	180.39
Dipole, Da:	4.05
IP(EA), eV:	-9.2(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C(=NN=N1)N2C3=CC=CC=C3N=C2SCC4=NC=C(C=C4)Br

DOS

IR

Vibrations