Geometry & MOs

Info

ID:	60299
PubChem CID:	26683764
Reduced:	NSO5H17C22 (1)
Stoich.:	ABC5D17E22 (1)
Weight, g/mol:	407.082744
ΔH_f, kcal/mol:	-149.03
Dipole, Da:	4.98
IP(EA), eV:	-9.16(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) (2R)-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxylate

Drug info:

PubChemData

Smile

C[C@H]1C(=O)NC2=C(S1)C=CC(=C2)C(=O)OC3=CC4=C(C=C3)C5=C(CCC5)C(=O)O4

DOS

IR

Vibrations