Geometry & MOs

Info

ID:	217890
PubChem CID:	85088539
Reduced:	BrO3N4C17H21 (1)
Stoich.:	AB3C4D17E21 (1)
Weight, g/mol:	409.103887
ΔH_f, kcal/mol:	-23.41
Dipole, Da:	7.37
IP(EA), eV:	-8.76(-1.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[[5-[(4-amino-2-oxopyrimidin-1-yl)methyl]-2-oxo-1,4,2lambda5-dioxaphosphinan-2-yl]oxy]benzoate

Drug info:

PubChemData

Smile

COC1=CC=CC=C1OCCN2CCN(CC2)C3=CN=NC(=O)C3Br

DOS

IR

Vibrations