Geometry & MOs

Info

ID:	44614
PubChem CID:	10504411
Reduced:	ClIN2O3C17H24 (1)
Stoich.:	ABC2D3E17F24 (1)
Weight, g/mol:	466.136944
ΔH_f, kcal/mol:	-143.6
Dipole, Da:	3.36
IP(EA), eV:	-9.1(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-(4-chlorophenyl)-2-[4-(3,4-dihydro-2H-thiochromen-4-yl)phenoxy]-2-methylpropanoate

Drug info:

PubChemData

Smile

CCOC(=O)C[C@H](C)NC(=O)C1=C(C(=CC(=C1)I)Cl)NC(C)(C)C

DOS

IR

Vibrations