Geometry & MOs

Info

ID:	61676
PubChem CID:	26711721
Reduced:	ClFSN2O3C20H22 (1)
Stoich.:	ABCD2E3F20G22 (1)
Weight, g/mol:	352.07864
ΔH_f, kcal/mol:	-148.27
Dipole, Da:	2.42
IP(EA), eV:	-9.41(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NCCC3=CC=C(C=C3)Cl)F

DOS

IR

Vibrations