Geometry & MOs

Info

ID:	444578
PubChem CID:	135262898
Reduced:	N2O4C29H30 (1)
Stoich.:	A2B4C29D30 (1)
Weight, g/mol:	392.96704
ΔH_f, kcal/mol:	-88.43
Dipole, Da:	5.61
IP(EA), eV:	-8.66(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-1-(4-methylphenyl)sulfonylindole-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C(C2=CC=C(O2)C)NC(=O)C3(CC3)C4=CC5=C(C=C4)N(C=C5)CCC(=O)O)C

DOS

IR

Vibrations