Geometry & MOs

Info

ID:	370879
PubChem CID:	127341203
Reduced:	SO2N4C14H18 (1)
Stoich.:	AB2C4D14E18 (1)
Weight, g/mol:	309.205242
ΔH_f, kcal/mol:	-31.06
Dipole, Da:	4.51
IP(EA), eV:	-9.55(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-oxoethyl]-3-ethylpiperazin-2-one

Drug info:

PubChemData

Smile

CCC1C(=O)NCCN1CCC(=O)NC2=C(C=CS2)C#N

DOS

IR

Vibrations