Geometry & MOs

Info

ID:	145536
PubChem CID:	53541537
Reduced:	FSO3N4C27H27 (1)
Stoich.:	ABC3D4E27F27 (1)
Weight, g/mol:	510.129253
ΔH_f, kcal/mol:	-83.54
Dipole, Da:	4.82
IP(EA), eV:	-8.7(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chloro-4-methylphenyl)-1-[3-[(4-fluorophenyl)methyl]-4-oxothieno[3,2-d]pyrimidin-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CNC(=O)C2CCN(CC2)C3=NC4=C(C(=O)N3CC5=CC=C(C=C5)F)SC=C4

DOS

IR

Vibrations