Geometry & MOs

Info

ID:	138941
PubChem CID:	52446902
Reduced:	O2N3C21H34 (1)
Stoich.:	A2B3C21D34 (1)
Weight, g/mol:	371.144533
ΔH_f, kcal/mol:	-70.67
Dipole, Da:	12.03
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.949927
Charge, e:	0

Chem-info

IUPAC name:

(4S)-4-(3-fluorophenyl)-N-(4-fluorophenyl)-1,3,6-trimethyl-2-oxo-4H-pyrimidine-5-carboxamide

Drug info:

PubChemData

Smile

C[C@@H]1CN(C[C@H](O1)C)C(=O)[C@H](C)NC2=CC=C(C=C2)[NH+]3CCC(CC3)C

DOS

IR

Vibrations