Geometry & MOs

Info

ID:	30208
PubChem CID:	840741
Reduced:	ClNSO2H6C9 (1)
Stoich.:	ABCD2E6F9 (1)
Weight, g/mol:	263.090606
ΔH_f, kcal/mol:	-10.54
Dipole, Da:	1.83
IP(EA), eV:	-9.77(-1.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R)-4-(4-methoxyphenyl)-6-methyl-5-nitro-3,4-dihydro-1H-pyrimidin-2-one

Drug info:

PubChemData

Smile

COC(=O)/C(=C/C1=CC=C(S1)Cl)/C#N

DOS

IR

Vibrations