Geometry & MOs

Info

ID:	43465
PubChem CID:	10321337
Reduced:	FSN2O8C18H23 (1)
Stoich.:	ABC2D8E18F23 (1)
Weight, g/mol:	446.147786
ΔH_f, kcal/mol:	-367.53
Dipole, Da:	11.15
IP(EA), eV:	-10.03(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-(3-nitrophenyl)-5-oxo-2-piperidin-1-yl-4H-indeno[1,2-b]pyran-3-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)O.C[C@@H](C(=O)N[C@]1(C[C@H]([C@@H]2[C@H]1[C@H]2C(=O)O)F)C(=O)O)N

DOS

IR

Vibrations