Geometry & MOs

Info

ID:	132801
PubChem CID:	51423171
Reduced:	NO2C16H25 (1)
Stoich.:	AB2C16D25 (1)
Weight, g/mol:	334.13223
ΔH_f, kcal/mol:	-86.6
Dipole, Da:	2.58
IP(EA), eV:	-8.9(0.22)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

(5R)-2-(4-chloroanilino)-5-ethyl-6-oxo-5-[(2S)-pentan-2-yl]pyrimidin-4-olate

Drug info:

PubChemData

Smile

C[C@@H]1C[C@@H](CN(C1)C[C@@H](COC2=CC=CC=C2)O)C

DOS

IR

Vibrations