Geometry & MOs

Info

ID:	363566
PubChem CID:	127311645
Reduced:	FSN3O4C17H22 (1)
Stoich.:	ABC3D4E17F22 (1)
Weight, g/mol:	384.216141
ΔH_f, kcal/mol:	-190.09
Dipole, Da:	5.23
IP(EA), eV:	-9.18(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]-2-oxoethyl]cyclohexanecarboxamide

Drug info:

PubChemData

Smile

CN(CC(=O)NC1CCN(C1=O)C2=CC=CC=C2F)C3CCS(=O)(=O)C3

DOS

IR

Vibrations