Geometry & MOs

Info

ID:	153827
PubChem CID:	56313145
Reduced:	FNOC11H11 (2)
Stoich.:	ABCD11E11 (2)
Weight, g/mol:	399.141676
ΔH_f, kcal/mol:	-119.33
Dipole, Da:	3.4
IP(EA), eV:	-9.17(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2-fluorophenyl)-2-methylpropyl]-2-(furan-2-yl)-4-methyl-6-methylsulfanylpyrimidine-5-carboxamide

Drug info:

PubChemData

Smile

CC(C)(CNC(=O)CCC1=NC=C(O1)C2=CC=C(C=C2)F)C3=CC=CC=C3F

DOS

IR

Vibrations