Geometry & MOs

Info

ID:	131074
PubChem CID:	51151155
Reduced:	SO2N3C20H27 (1)
Stoich.:	AB2C3D20E27 (1)
Weight, g/mol:	399.198048
ΔH_f, kcal/mol:	-79.03
Dipole, Da:	4.4
IP(EA), eV:	-8.99(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-3-oxopropyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC12CCC(=O)N1C(CS2)C(=O)NCC(C3=CC=CC=C3)N4CCCC4

DOS

IR

Vibrations