Geometry & MOs

Info

ID:	243883
PubChem CID:	99300565
Reduced:	NSO3C11H14 (2)
Stoich.:	ABC3D11E14 (2)
Weight, g/mol:	470.162391
ΔH_f, kcal/mol:	-209.33
Dipole, Da:	6.44
IP(EA), eV:	-8.57(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-[2-(4-methoxyphenoxy)ethylsulfanyl]-N-methylacetamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(SC(=C1C)C(=O)N(C)C)NC(=O)CSCCOC2=CC=C(C=C2)OC

DOS

IR

Vibrations