Geometry & MOs

Info

ID:	29124
PubChem CID:	831719
Reduced:	SCl2N2O2H8C14 (1)
Stoich.:	AB2C2D2E8F14 (1)
Weight, g/mol:	335.163377
ΔH_f, kcal/mol:	13.33
Dipole, Da:	3.27
IP(EA), eV:	-9.03(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2R)-N-[1-(4-acetamidophenyl)ethylideneamino]-2-phenylcyclopropane-1-carboxamide

Drug info:

PubChemData

Smile

C1=CC2=C(C(=C1)Cl)C(=C(S2)C(=O)NN=CC3=COC=C3)Cl

DOS

IR

Vibrations