Geometry & MOs

Info

ID:	398315
PubChem CID:	135032793
Reduced:	NO3C29H39 (1)
Stoich.:	AB3C29D39 (1)
Weight, g/mol:	314.076536
ΔH_f, kcal/mol:	-95.46
Dipole, Da:	1.49
IP(EA), eV:	-8.77(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-phenylphenyl)thiochromen-4-one

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=CC=C1)N(CC2=CC=CC=C2)[C@@H](CCC=C)[C@@H]([C@@H](C=C)O)C(=O)OC(C)(C)C

DOS

IR

Vibrations