Geometry & MOs

Info

ID:	176712
PubChem CID:	76085032
Reduced:	NSO4C23H41 (1)
Stoich.:	ABC4D23E41 (1)
Weight, g/mol:	390.061864
ΔH_f, kcal/mol:	-163.47
Dipole, Da:	3.97
IP(EA), eV:	-8.53(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 8-chloro-9-nitro-4-oxo-5-propylchromeno[4,3-b]pyridine-2-carboxylate

Drug info:

PubChemData

Smile

CCCCCCS(=O)CC1C2CCC(C1CC=CCCC(C)(C)C(=O)N(C)O)O2

DOS

IR

Vibrations