Geometry & MOs

Info

ID:	401396
PubChem CID:	135051156
Reduced:	NH10C11 (2)
Stoich.:	AB10C11 (2)
Weight, g/mol:	255.071785
ΔH_f, kcal/mol:	108.42
Dipole, Da:	2.97
IP(EA), eV:	-9.34(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-aminosulfanylphenyl)-2-phenylprop-2-en-1-one

Drug info:

PubChemData

Smile

CN=C(C1=CC=CC=C1)C2=CC=CC=C2C(=NC)C3=CC=CC=C3

DOS

IR

Vibrations