Geometry & MOs

Info

ID:	68442
PubChem CID:	46508415
Reduced:	SO3N5C20H25 (1)
Stoich.:	AB3C5D20E25 (1)
Weight, g/mol:	429.27399
ΔH_f, kcal/mol:	-18.84
Dipole, Da:	3.73
IP(EA), eV:	-8.61(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-pentylamino]-N-(3,5-dimethylphenyl)acetamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C2=NN=C(N2CC3=CC=CO3)SCC(=O)NCC4=CC=CO4

DOS

IR

Vibrations