Geometry & MOs

Info

ID:	30183
PubChem CID:	840514
Reduced:	N3O3H15C20 (1)
Stoich.:	A3B3C15D20 (1)
Weight, g/mol:	334.963124
ΔH_f, kcal/mol:	16.76
Dipole, Da:	3.7
IP(EA), eV:	-9.25(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-2,2,2-trichloro-1-(6-oxopyrimidin-1-yl)ethyl]furan-2-carboxamide

Drug info:

PubChemData

Smile

C1OC2=C(O1)C=C(C=C2)C(=O)NN=C(C3=CC=CC=C3)C4=CC=NC=C4

DOS

IR

Vibrations