Geometry & MOs

Info

ID:	172807
PubChem CID:	75555600
Reduced:	SO2N5C26H39 (1)
Stoich.:	AB2C5D26E39 (1)
Weight, g/mol:	441.05105
ΔH_f, kcal/mol:	-61.57
Dipole, Da:	10.24
IP(EA), eV:	-8.57(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(4-bromophenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2,3,4a,7a-tetrahydro-1H-thieno[3,2-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CCN(CC)CCCNC(=O)C1CCN(CC1)C2NC3C(C(=O)N2)SC=C3C4=CC=CC(=C4)C

DOS

IR

Vibrations