Geometry & MOs

Info

ID:	234634
PubChem CID:	92303207
Reduced:	Cl2N2O3H10C12 (1)
Stoich.:	A2B2C3D10E12 (1)
Weight, g/mol:	277.06987
ΔH_f, kcal/mol:	-123.93
Dipole, Da:	2.61
IP(EA), eV:	-9.69(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-6-methyl-4-(4-nitrophenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C([C@@H](NC(=O)N1)C2=C(C(=CC=C2)Cl)Cl)C(=O)O

DOS

IR

Vibrations