Geometry & MOs

Info

ID:	127189
PubChem CID:	50993598
Reduced:	N2F3O4H15C19 (1)
Stoich.:	A2B3C4D15E19 (1)
Weight, g/mol:	530.083208
ΔH_f, kcal/mol:	-169.02
Dipole, Da:	10.75
IP(EA), eV:	-9.28(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-(benzenesulfonyl)-5-chloro-3-[dimethylamino(phenyl)phosphoryl]indole-2-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=NC2=C1C(=C(C=C2[N+](=O)[O-])OC)C3=CC(=CC=C3)OC)C(F)(F)F

DOS

IR

Vibrations