Geometry & MOs

Info

ID:	60989
PubChem CID:	26703946
Reduced:	ClSN2O3C15H15 (1)
Stoich.:	ABC2D3E15F15 (1)
Weight, g/mol:	496.187046
ΔH_f, kcal/mol:	-92.87
Dipole, Da:	3.89
IP(EA), eV:	-9.15(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(furan-2-ylmethyl)propanamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=C(C=C2)Cl)C)S(=O)(=O)N

DOS

IR

Vibrations