Geometry & MOs

Info

ID:	68671
PubChem CID:	46508874
Reduced:	O3N6C20H28 (1)
Stoich.:	A3B6C20D28 (1)
Weight, g/mol:	441.15791
ΔH_f, kcal/mol:	-54.6
Dipole, Da:	2.1
IP(EA), eV:	-9.25(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(2-methoxyethyl)amino]-N-(5-chloro-2-fluorophenyl)acetamide

Drug info:

PubChemData

Smile

CCCNC(=O)NC(=O)CN1CCN(CC1)CC2=NC(=NO2)C3=CC=C(C=C3)C

DOS

IR

Vibrations