Geometry & MOs

Info

ID:	413473
PubChem CID:	135086422
Reduced:	SO2N4H16C18 (1)
Stoich.:	AB2C4D16E18 (1)
Weight, g/mol:	294.101585
ΔH_f, kcal/mol:	59.33
Dipole, Da:	3.44
IP(EA), eV:	-8.63(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(ethoxycarbonylamino)-6-fluoroindole-1-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)/N=C\2/C(=[N+]=[N-])C3=CC=CC=C3N2CC=C

DOS

IR

Vibrations