Geometry & MOs

Info

ID:	138943
PubChem CID:	52447506
Reduced:	F3N3O3H20C21 (1)
Stoich.:	A3B3C3D20E21 (1)
Weight, g/mol:	432.100061
ΔH_f, kcal/mol:	-228.3
Dipole, Da:	3.91
IP(EA), eV:	-8.89(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-4-(4-chloro-3-nitrophenyl)-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=C2OC(F)F)C(=O)NC3=CC=C(C=C3)F

DOS

IR

Vibrations