Geometry & MOs

Info

ID:	68576
PubChem CID:	46508684
Reduced:	BrN3O3H20C22 (1)
Stoich.:	AB3C3D20E22 (1)
Weight, g/mol:	419.086115
ΔH_f, kcal/mol:	-55.44
Dipole, Da:	3.81
IP(EA), eV:	-8.78(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(1,1-dioxothiolan-3-yl)-(thiophen-2-ylmethyl)amino]methyl]-7-methoxychromen-2-one

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC(=CC=C1)NC(=O)NC2=CC=CC=C2)OC3=CC=C(C=C3)Br

DOS

IR

Vibrations