Geometry & MOs

Info

ID:	360796
PubChem CID:	127301441
Reduced:	SN4O4C17H28 (1)
Stoich.:	AB4C4D17E28 (1)
Weight, g/mol:	384.183127
ΔH_f, kcal/mol:	-125.49
Dipole, Da:	4.61
IP(EA), eV:	-8.98(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(azepan-1-yl)-2-[4-[(3-methyl-1,2-oxazol-5-yl)methylsulfonyl]piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1=CC(=NO1)CS(=O)(=O)N2CCN(CC2)CC(=O)N3CCCCCC3

DOS

IR

Vibrations