Geometry & MOs

Info

ID:	421066
PubChem CID:	135115309
Reduced:	ClNSO4C18H26 (1)
Stoich.:	ABCD4E18F26 (1)
Weight, g/mol:	349.182398
ΔH_f, kcal/mol:	-168.49
Dipole, Da:	3.71
IP(EA), eV:	-9.23(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-cyclohexylsulfanylfuran-2-yl)methyl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)S(=O)(=O)N2CCC[C@@]3(C2)CCC[C@H]3OC)Cl

DOS

IR

Vibrations