Geometry & MOs

Info

ID:	89899
PubChem CID:	49965295
Reduced:	ClSN2O6H17C22 (1)
Stoich.:	ABC2D6E17F22 (1)
Weight, g/mol:	463.004799
ΔH_f, kcal/mol:	-117.93
Dipole, Da:	10.19
IP(EA), eV:	-9.55(-1.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methoxymethyl 2-amino-4-(2,4-dichlorophenyl)-5-oxo-4H-thiochromeno[4,3-b]pyran-3-carboxylate

Drug info:

PubChemData

Smile

CC(C)OC(=O)C1=C(OC2=C(C1C3=CC(=C(C=C3)[N+](=O)[O-])Cl)C(=O)SC4=CC=CC=C42)N

DOS

IR

Vibrations