Geometry & MOs

Info

ID:	60643
PubChem CID:	26697332
Reduced:	SO2N4H22C23 (1)
Stoich.:	AB2C4D22E23 (1)
Weight, g/mol:	324.04734
ΔH_f, kcal/mol:	-9.37
Dipole, Da:	4.77
IP(EA), eV:	-8.48(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-N-[2-(cyclopentylamino)-2-oxoethyl]benzamide

Drug info:

PubChemData

Smile

C1CCC(C1)NC(=O)C2=CC(=CC=C2)N3CC(=O)C(=C3N)C4=NC5=CC=CC=C5S4

DOS

IR

Vibrations