Geometry & MOs

Info

ID:	60998
PubChem CID:	26704011
Reduced:	SN2O7C22H22 (1)
Stoich.:	AB2C7D22E22 (1)
Weight, g/mol:	444.136446
ΔH_f, kcal/mol:	-191.3
Dipole, Da:	8.27
IP(EA), eV:	-9.37(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-5-chloro-2-fluorobenzamide

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C#N)OC(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCO4

DOS

IR

Vibrations