Geometry & MOs

Info

ID:	138942
PubChem CID:	52447501
Reduced:	F2O2N3H19C20 (1)
Stoich.:	A2B2C3D19E20 (1)
Weight, g/mol:	419.145676
ΔH_f, kcal/mol:	-125.38
Dipole, Da:	4.62
IP(EA), eV:	-8.94(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R)-4-[2-(difluoromethoxy)phenyl]-N-(4-fluorophenyl)-1,3,6-trimethyl-2-oxo-4H-pyrimidine-5-carboxamide

Drug info:

PubChemData

Smile

CC1=C([C@@H](N(C(=O)N1C)C)C2=CC(=CC=C2)F)C(=O)NC3=CC=C(C=C3)F

DOS

IR

Vibrations