Geometry & MOs

Info

ID:	61038
PubChem CID:	26704601
Reduced:	ClN4O4C25H27 (1)
Stoich.:	AB4C4D25E27 (1)
Weight, g/mol:	444.136446
ΔH_f, kcal/mol:	-130.82
Dipole, Da:	4.33
IP(EA), eV:	-9.08(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-butyl-4-chloro-2-fluorobenzamide

Drug info:

PubChemData

Smile

CCCCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)[C@@H]3CC4=C(C=CC(=C4)Cl)OC3

DOS

IR

Vibrations