Geometry & MOs

Info

ID:	130152
PubChem CID:	51075071
Reduced:	N2F3O3C16H19 (1)
Stoich.:	A2B3C3D16E19 (1)
Weight, g/mol:	337.182398
ΔH_f, kcal/mol:	-247.16
Dipole, Da:	6.01
IP(EA), eV:	-9.66(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cycloheptyl-N-methyl-3-(6-methyl-2-methylsulfanyl-4-oxo-1H-pyrimidin-5-yl)propanamide

Drug info:

PubChemData

Smile

CCONC(=O)C1CCN(CC1)C(=O)C2=CC=C(C=C2)C(F)(F)F

DOS

IR

Vibrations