Geometry & MOs

Info

ID:	68533
PubChem CID:	46508599
Reduced:	Cl2N2S2O3C17H18 (1)
Stoich.:	A2B2C2D3E17F18 (1)
Weight, g/mol:	422.231791
ΔH_f, kcal/mol:	-88.69
Dipole, Da:	5.24
IP(EA), eV:	-9.37(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[1-[[2-(cyclopentylcarbamoylamino)-2-oxoethyl]-methylamino]ethyl]phenyl]benzamide

Drug info:

PubChemData

Smile

C1CS(=O)(=O)CC1N(CC2=CC=CS2)CC(=O)NC3=C(C=CC=C3Cl)Cl

DOS

IR

Vibrations