Geometry & MOs

Info

ID:	302099
PubChem CID:	124349515
Reduced:	SN2O3C20H28 (1)
Stoich.:	AB2C3D20E28 (1)
Weight, g/mol:	388.145678
ΔH_f, kcal/mol:	-121.61
Dipole, Da:	6.07
IP(EA), eV:	-9.12(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aS,7aS)-1-(furan-2-ylmethyl)-6,6-dioxo-4-(4-propan-2-ylphenyl)-4a,5,7,7a-tetrahydro-2H-thieno[3,4-b]pyrazin-3-one

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)N2[C@H]3CS(=O)(=O)C[C@H]3N(CC2=O)C4CCCC4

DOS

IR

Vibrations