Geometry & MOs

Info

ID:	32396
PubChem CID:	7765343
Reduced:	N3O5H17C18 (1)
Stoich.:	A3B5C17D18 (1)
Weight, g/mol:	407.136887
ΔH_f, kcal/mol:	-91.82
Dipole, Da:	3.55
IP(EA), eV:	-8.65(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[[2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]acetyl]amino]benzoate

Drug info:

PubChemData

Smile

C[C@H]1CC2=CC=CC=C2N1C(=O)COC(=O)C3=CC(=C(C=C3)N)[N+](=O)[O-]

DOS

IR

Vibrations