Geometry & MOs

Info

ID:	138944
PubChem CID:	52447507
Reduced:	ClFN4O4H18C20 (1)
Stoich.:	ABC4D4E18F20 (1)
Weight, g/mol:	461.07503
ΔH_f, kcal/mol:	-89.14
Dipole, Da:	5.13
IP(EA), eV:	-9.13(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6R)-6-(2-bromophenyl)-N-(4-fluorophenyl)-3-(2-methoxyethyl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations