Geometry & MOs

Info

ID:	223648
PubChem CID:	85335364
Reduced:	O4N6C25H32 (1)
Stoich.:	A4B6C25D32 (1)
Weight, g/mol:	472.248584
ΔH_f, kcal/mol:	-103.37
Dipole, Da:	9.58
IP(EA), eV:	-8.95(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[3-[4-[4-(3-cyclohexylprop-2-enoyl)piperazin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

Drug info:

PubChemData

Smile

COCCOC1CCC2C(C1)NCNC2=C3C4=C(C=CC(=C4)C(=O)NCCC5=CN=CN5)NC3=O

DOS

IR

Vibrations