Geometry & MOs

Info

ID:	401469
PubChem CID:	135051359
Reduced:	ClOS2H13C16 (1)
Stoich.:	ABC2D13E16 (1)
Weight, g/mol:	341.177964
ΔH_f, kcal/mol:	18.58
Dipole, Da:	6.03
IP(EA), eV:	-8.66(-1.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-3-(4-methylanilino)-1,3-bis(4-methylphenyl)prop-2-en-1-one

Drug info:

PubChemData

Smile

COC1=CC=CC=C1C2=S(SC(=C2)C3=CC=CC=C3)Cl

DOS

IR

Vibrations