Geometry & MOs

Info

ID:	170710
PubChem CID:	75270963
Reduced:	SO2N4C19H24 (1)
Stoich.:	AB2C4D19E24 (1)
Weight, g/mol:	500.144903
ΔH_f, kcal/mol:	-36.68
Dipole, Da:	4.75
IP(EA), eV:	-8.86(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-chloro-4-fluorophenyl)methyl]-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

CNC(=O)C1CCCN(C1)C2NC3C(C(=O)N2)SC=C3C4=CC=CC=C4

DOS

IR

Vibrations