Geometry & MOs

Info

ID:	29444
PubChem CID:	833835
Reduced:	ON6C15H16 (1)
Stoich.:	AB6C15D16 (1)
Weight, g/mol:	324.129634
ΔH_f, kcal/mol:	111.91
Dipole, Da:	8.02
IP(EA), eV:	-9.28(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(cyclopentylcarbamothioyl)-4-phenylbenzamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC2=CC=CC(=C2)CNN3C(=NN=N3)N

DOS

IR

Vibrations