Geometry & MOs

Info

ID:	364285
PubChem CID:	127315384
Reduced:	SN3O5C18H29 (1)
Stoich.:	AB3C5D18E29 (1)
Weight, g/mol:	399.182792
ΔH_f, kcal/mol:	-186.45
Dipole, Da:	2.25
IP(EA), eV:	-9.15(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-2-(2-methylcyclohexyl)oxyethanone

Drug info:

PubChemData

Smile

CCC(C(=O)N1CCN(CC1)S(=O)(=O)C2=C(ON=C2C)C)OC3CCCC3

DOS

IR

Vibrations