Geometry & MOs

Info

ID:	302106
PubChem CID:	124349542
Reduced:	S2N3O5C23H29 (1)
Stoich.:	A2B3C5D23E29 (1)
Weight, g/mol:	426.197714
ΔH_f, kcal/mol:	-161.54
Dipole, Da:	3.83
IP(EA), eV:	-9.63(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aR,7aR)-6,6-dioxo-1-(3-phenylpropyl)-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)CCC4=CC=C(C=C4)S(=O)(=O)N

DOS

IR

Vibrations