Geometry & MOs

Info

ID:	170713
PubChem CID:	75270996
Reduced:	SO3N4C23H26 (1)
Stoich.:	AB3C4D23E26 (1)
Weight, g/mol:	462.208947
ΔH_f, kcal/mol:	-42.81
Dipole, Da:	7.56
IP(EA), eV:	-8.64(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(CN(C1)C2NC3C(C(=O)N2)SC=C3C4=CC=CC=C4)C(=O)NCC5=CC=CO5

DOS

IR

Vibrations