Geometry & MOs

Info

ID:	79661
PubChem CID:	49829888
Reduced:	ClN2S2O5C15H19 (1)
Stoich.:	AB2C2D5E15F19 (1)
Weight, g/mol:	404.03315
ΔH_f, kcal/mol:	-161.65
Dipole, Da:	3.24
IP(EA), eV:	-9.3(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 2-(5-bromo-2,4-dioxopyrimidin-1-yl)acetate

Drug info:

PubChemData

Smile

CC1CC1C(=O)OCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(S3)Cl

DOS

IR

Vibrations