Geometry & MOs

Info

ID:	217517
PubChem CID:	85087932
Reduced:	ClSO2N4H11C17 (1)
Stoich.:	ABC2D4E11F17 (1)
Weight, g/mol:	370.169958
ΔH_f, kcal/mol:	60.87
Dipole, Da:	7.27
IP(EA), eV:	-8.56(-1.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-chlorophenyl)-3-(3,5-ditert-butyl-4-hydroxyphenyl)prop-2-en-1-one

Drug info:

PubChemData

Smile

C1C(=O)N(C(=NNC2=C3C=CC=CC3=NC2=O)S1)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations