Geometry & MOs

Info

ID:	135676
PubChem CID:	51913824
Reduced:	BrNO5C14H18 (1)
Stoich.:	ABC5D14E18 (1)
Weight, g/mol:	459.04298
ΔH_f, kcal/mol:	-183.26
Dipole, Da:	1.33
IP(EA), eV:	-9.52(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (4S)-6-[(5-bromopyridine-3-carbonyl)oxymethyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

C[C@@H](COC)NC(=O)COC(=O)COC1=CC(=CC=C1)Br

DOS

IR

Vibrations