Geometry & MOs

Info

ID:	351260
PubChem CID:	127280148
Reduced:	SO2N4C20H30 (1)
Stoich.:	AB2C4D20E30 (1)
Weight, g/mol:	388.247441
ΔH_f, kcal/mol:	-47.08
Dipole, Da:	4.0
IP(EA), eV:	-8.92(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclohexyl-N-methyl-2-[4-(4,5,6,7-tetrahydro-1,2-benzoxazole-3-carbonyl)piperazin-1-yl]acetamide

Drug info:

PubChemData

Smile

CN(C1CCCCC1)C(=O)CN2CCN(CC2)C(=O)C3=CSC(=N3)C4CC4

DOS

IR

Vibrations