Geometry & MOs

Info

ID:	190946
PubChem CID:	78082963
Reduced:	SN4O5C14H24 (1)
Stoich.:	AB4C5D14E24 (1)
Weight, g/mol:	345.114713
ΔH_f, kcal/mol:	-208.65
Dipole, Da:	4.63
IP(EA), eV:	-9.65(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COCCN1CCN(C2C1CS(=O)(=O)C2)CC3CC(=O)NC(=O)N3

DOS

IR

Vibrations