Geometry & MOs

Info

ID:	60983
PubChem CID:	26703879
Reduced:	BrFNO3H11C15 (1)
Stoich.:	ABCD3E11F15 (1)
Weight, g/mol:	468.200885
ΔH_f, kcal/mol:	-121.31
Dipole, Da:	2.8
IP(EA), eV:	-8.74(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-(3,5-dimethoxyphenyl)-N-(furan-2-ylmethyl)prop-2-enamide

Drug info:

PubChemData

Smile

CC(=O)NC1=CC=C(C=C1)OC(=O)C2=C(C=C(C=C2)Br)F

DOS

IR

Vibrations