Geometry & MOs

Info

ID:	302098
PubChem CID:	124349507
Reduced:	BrSN2O3C17H21 (1)
Stoich.:	ABC2D3E17F21 (1)
Weight, g/mol:	376.182064
ΔH_f, kcal/mol:	-100.22
Dipole, Da:	6.67
IP(EA), eV:	-9.4(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aR,7aS)-1-cyclopentyl-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

C1CCC(C1)N2CC(=O)N([C@@H]3[C@H]2CS(=O)(=O)C3)C4=CC=C(C=C4)Br

DOS

IR

Vibrations