Geometry & MOs

Info

ID:	61010
PubChem CID:	26704210
Reduced:	ClSO2N4H11C16 (1)
Stoich.:	ABC2D4E11F16 (1)
Weight, g/mol:	464.253589
ΔH_f, kcal/mol:	55.67
Dipole, Da:	4.68
IP(EA), eV:	-9.45(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-(1-benzylpyrazol-4-yl)-N-(2-methylpropyl)prop-2-enamide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2=NOC(=N2)CCC(=O)NC3=C(C=CS3)C#N)Cl

DOS

IR

Vibrations