Geometry & MOs

Info

ID:	89898
PubChem CID:	49965291
Reduced:	SO3N5H15C18 (1)
Stoich.:	AB3C5D15E18 (1)
Weight, g/mol:	472.049585
ΔH_f, kcal/mol:	-4.89
Dipole, Da:	6.3
IP(EA), eV:	-9.57(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl 2-amino-4-(3-chloro-4-nitrophenyl)-5-oxo-4H-thiochromeno[4,3-b]pyran-3-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)CC(=O)CSC1=C(C(=C(C(=N1)N)C#N)C2=CN=CC=C2)C#N

DOS

IR

Vibrations