Geometry & MOs

Info

ID:	312766
PubChem CID:	126608409
Reduced:	NOC19H20 (2)
Stoich.:	ABC19D20 (2)
Weight, g/mol:	406.98269
ΔH_f, kcal/mol:	73.37
Dipole, Da:	2.92
IP(EA), eV:	-8.66(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-(benzenesulfonyl)-6-bromoindole-2-carboxylate

Drug info:

PubChemData

Smile

C=CC1=CC=C(C=C1)COC2=CC=C(C=C2)C=NCCCCCCN=CC3=CC=C(C=C3)OCC4=CC=C(C=C4)C=C

DOS

IR

Vibrations