Geometry & MOs

Info

ID:	302991
PubChem CID:	124489073
Reduced:	SN2O2Cl3H7C11 (1)
Stoich.:	AB2C2D3E7F11 (1)
Weight, g/mol:	330.103814
ΔH_f, kcal/mol:	-66.35
Dipole, Da:	2.52
IP(EA), eV:	-9.06(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4R)-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl]-2-(6-methylpyridin-3-yl)acetamide

Drug info:

PubChemData

Smile

C1=C(C=C(C2=C1SC(=C2Cl)C(=O)NCC(=O)N)Cl)Cl

DOS

IR

Vibrations