Geometry & MOs

Info

ID:	170709
PubChem CID:	75270953
Reduced:	FSO2N4C26H29 (1)
Stoich.:	ABC2D4E26F29 (1)
Weight, g/mol:	372.161997
ΔH_f, kcal/mol:	-66.51
Dipole, Da:	8.68
IP(EA), eV:	-8.68(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-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

CC1=CC=CC=C1CNC(=O)C2CCN(CC2)C3NC4C(C(=O)N3)SC=C4C5=CC=CC=C5F

DOS

IR

Vibrations