Geometry & MOs

Info

ID:	182360
PubChem CID:	76880665
Reduced:	SO3N4H10C12 (1)
Stoich.:	AB3C4D10E12 (1)
Weight, g/mol:	287.090606
ΔH_f, kcal/mol:	12.35
Dipole, Da:	4.96
IP(EA), eV:	-9.35(-1.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(3-hydroxyprop-1-ynyl)phenyl]-2,4-dioxo-1,3-diazinane-5-carboxamide

Drug info:

PubChemData

Smile

C1=NC(=O)C=NC1C(=O)NC2=NC=C(S2)C#CCCO

DOS

IR

Vibrations