Geometry & MOs

Info

ID:	27637
PubChem CID:	822742
Reduced:	ClSO2H11C19 (1)
Stoich.:	ABC2D11E19 (1)
Weight, g/mol:	252.11503
ΔH_f, kcal/mol:	20.93
Dipole, Da:	2.73
IP(EA), eV:	-8.49(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-6-ethyl-4-phenyl-3,4-dihydrochromen-2-one

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=O)/C(=C\C3=CC=C(O3)C4=CC=CC=C4Cl)/S2

DOS

IR

Vibrations