Geometry & MOs

Info

ID:	189868
PubChem CID:	77917189
Reduced:	O2S2N5C16H21 (1)
Stoich.:	A2B2C5D16E21 (1)
Weight, g/mol:	366.161329
ΔH_f, kcal/mol:	-8.59
Dipole, Da:	7.43
IP(EA), eV:	-9.16(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[(3-ethoxyphenyl)methyl]-6,6-dioxo-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-4-yl]propan-1-one

Drug info:

PubChemData

Smile

CCC1=NC(=CS1)CN2CCN(C3C2CS(=O)(=O)C3)C4=NC=CC=N4

DOS

IR

Vibrations