Geometry & MOs

Info

ID:	440464
PubChem CID:	135230441
Reduced:	ClSO2N8C20H21 (1)
Stoich.:	ABC2D8E20F21 (1)
Weight, g/mol:	514.21401
ΔH_f, kcal/mol:	54.1
Dipole, Da:	9.2
IP(EA), eV:	-9.12(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC1=CC=CC(=N1)CSC2=NC3=C(N2C4=NN=NN4C)C=CC=C3Cl

DOS

IR

Vibrations