Geometry & MOs

Info

ID:	123338
PubChem CID:	50843221
Reduced:	FSN2O4H23C24 (1)
Stoich.:	ABC2D4E23F24 (1)
Weight, g/mol:	492.16314
ΔH_f, kcal/mol:	-137.79
Dipole, Da:	6.29
IP(EA), eV:	-9.39(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-fluoro-3-methylphenyl)-1-[3-(3-methoxyphenyl)-4-oxothieno[3,2-d]pyrimidin-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CNC(=O)C2=CC3=C(C=C2)OCCN(C3)S(=O)(=O)C4=CC=CC(=C4)F

DOS

IR

Vibrations