Geometry & MOs

Info

ID:	390725
PubChem CID:	135000567
Reduced:	NSO2C21H23 (1)
Stoich.:	ABC2D21E23 (1)
Weight, g/mol:	273.063722
ΔH_f, kcal/mol:	-17.23
Dipole, Da:	5.24
IP(EA), eV:	-9.34(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4,9-dioxo-3a,9a-dihydrobenzo[f][1,2]benzoxazole-3-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2CC(C(=C)C2)C/C=C\C3=CC=CC=C3

DOS

IR

Vibrations