Geometry & MOs

Info

ID:	182394
PubChem CID:	76884241
Reduced:	ClFOSN3H15C18 (1)
Stoich.:	ABCDE3F15G18 (1)
Weight, g/mol:	425.043475
ΔH_f, kcal/mol:	20.81
Dipole, Da:	1.63
IP(EA), eV:	-9.07(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-chloro-3-fluorophenyl)-2-[(5,6-dimethyl-4-oxo-4aH-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]propanamide

Drug info:

PubChemData

Smile

C1CC1(CNC(=O)C=CC2=C(N=C3N2C=CS3)Cl)C4=CC=C(C=C4)F

DOS

IR

Vibrations