Geometry & MOs

Info

ID:	61680
PubChem CID:	26711764
Reduced:	ClNO3C17H24 (1)
Stoich.:	ABC3D17E24 (1)
Weight, g/mol:	365.140927
ΔH_f, kcal/mol:	-133.33
Dipole, Da:	2.01
IP(EA), eV:	-8.73(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(cycloheptylamino)-2-oxoethyl]-4-methylsulfanyl-3-nitrobenzamide

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1Cl)C(=O)NC2CCCCCC2)OC

DOS

IR

Vibrations