Geometry & MOs

Info

ID:	61017
PubChem CID:	26704332
Reduced:	ClSN2O5H23C25 (1)
Stoich.:	ABC2D5E23F25 (1)
Weight, g/mol:	460.26857
ΔH_f, kcal/mol:	-141.29
Dipole, Da:	8.54
IP(EA), eV:	-8.66(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-(3,5-dimethoxyphenyl)-N-pentylpropanamide

Drug info:

PubChemData

Smile

CN(C1=CC=C(C=C1)OC(=O)CC2=CC=C(C=C2)N3CCCC3=O)S(=O)(=O)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations