Geometry & MOs

Info

ID:	401898
PubChem CID:	135053267
Reduced:	NOSCl4H7C11 (1)
Stoich.:	ABCD4E7F11 (1)
Weight, g/mol:	310.076057
ΔH_f, kcal/mol:	33.86
Dipole, Da:	1.84
IP(EA), eV:	-8.76(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(E)-1-(4-chlorophenyl)but-1-en-2-yl]chromen-4-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)S/C(=C(/C=N\O)\Cl)/C(=C(Cl)Cl)Cl

DOS

IR

Vibrations