Geometry & MOs

Info

ID:	124516
PubChem CID:	50886093
Reduced:	BrClNO3H17C21 (1)
Stoich.:	ABCD3E17F21 (1)
Weight, g/mol:	324.056863
ΔH_f, kcal/mol:	-24.79
Dipole, Da:	6.22
IP(EA), eV:	-8.43(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1,3-dioxoinden-2-ylidene)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C(=CC(=C1)C=NC2=CC=C(C=C2)O)Br)OCC3=CC=CC=C3Cl

DOS

IR

Vibrations