Geometry & MOs

Info

ID:	68603
PubChem CID:	46508742
Reduced:	NSO5C25H27 (1)
Stoich.:	ABC5D25E27 (1)
Weight, g/mol:	432.23727
ΔH_f, kcal/mol:	-118.04
Dipole, Da:	5.81
IP(EA), eV:	-8.4(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-2-(4-methoxyphenoxy)propanamide

Drug info:

PubChemData

Smile

CC(C(=O)N1CCC2=CC(=C(C=C2C1C3=CC=CS3)OC)OC)OC4=CC=C(C=C4)OC

DOS

IR

Vibrations