Geometry & MOs

Info

ID:	370745
PubChem CID:	127340104
Reduced:	SN3O4C17H21 (1)
Stoich.:	AB3C4D17E21 (1)
Weight, g/mol:	384.216141
ΔH_f, kcal/mol:	-119.18
Dipole, Da:	7.68
IP(EA), eV:	-9.05(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-3-oxopropyl]cyclohexanecarboxamide

Drug info:

PubChemData

Smile

C1CS(=O)(=O)CCC1C(=O)N2CCN(CC2)C3=NC4=CC=CC=C4O3

DOS

IR

Vibrations