Geometry & MOs

Info

ID:	268931
PubChem CID:	103602469
Reduced:	BrINOC16H23 (1)
Stoich.:	ABCDE16F23 (1)
Weight, g/mol:	310.017891
ΔH_f, kcal/mol:	-41.19
Dipole, Da:	4.01
IP(EA), eV:	-9.72(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-5-chlorofuran-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)CCCCCCNC(=O)C1=C(C=CC(=C1)Br)I

DOS

IR

Vibrations