Geometry & MOs

Info

ID:	440328
PubChem CID:	135230275
Reduced:	IN6C8H9 (1)
Stoich.:	AB6C8D9 (1)
Weight, g/mol:	604.255794
ΔH_f, kcal/mol:	123.34
Dipole, Da:	5.53
IP(EA), eV:	-9.09(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C(=NN=N1)NC2=C(C=CC(=C2)I)N

DOS

IR

Vibrations