Geometry & MOs

Info

ID:	170715
PubChem CID:	75270998
Reduced:	FSO2N4C26H29 (1)
Stoich.:	ABC2D4E26F29 (1)
Weight, g/mol:	462.208947
ΔH_f, kcal/mol:	-64.53
Dipole, Da:	7.2
IP(EA), eV:	-8.74(-0.26)
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-(2-phenylethyl)piperidine-3-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations