Geometry & MOs

Info

ID:	170714
PubChem CID:	75270997
Reduced:	SO2N4C26H30 (1)
Stoich.:	AB2C4D26E30 (1)
Weight, g/mol:	480.199526
ΔH_f, kcal/mol:	-16.05
Dipole, Da:	8.04
IP(EA), eV:	-8.69(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(4-fluorophenyl)ethyl]-1-(4-oxo-7-phenyl-2,3,4a,7a-tetrahydro-1H-thieno[3,2-d]pyrimidin-2-yl)piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1)NC(=O)C2CCCN(C2)C3NC4C(C(=O)N3)SC=C4C5=CC=CC=C5

DOS

IR

Vibrations