Geometry & MOs

Info

ID:	171837
PubChem CID:	75432665
Reduced:	SN3O3C16H21 (1)
Stoich.:	AB3C3D16E21 (1)
Weight, g/mol:	322.97669
ΔH_f, kcal/mol:	-82.37
Dipole, Da:	4.87
IP(EA), eV:	-8.89(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-iodo-3-methyl-2,6-dioxopyrimidin-1-yl)propanamide

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=NC=CN1CC(CN2CCC3=CC=CC=C3C2)O

DOS

IR

Vibrations