Geometry & MOs

Info

ID:	62556
PubChem CID:	26719866
Reduced:	SO2N3H17C21 (1)
Stoich.:	AB2C3D17E21 (1)
Weight, g/mol:	479.253255
ΔH_f, kcal/mol:	-16.13
Dipole, Da:	7.15
IP(EA), eV:	-8.37(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N'-(2-methylpropyl)-N-naphthalen-2-ylbutanediamide

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C(=O)N3CCCC3=N2)C(=O)NC4=CC5=CC=CC=C5C=C4

DOS

IR

Vibrations