Geometry & MOs

Info

ID:	156631
PubChem CID:	56371435
Reduced:	BrSO3N4C21H23 (1)
Stoich.:	ABC3D4E21F23 (1)
Weight, g/mol:	465.02456
ΔH_f, kcal/mol:	-27.45
Dipole, Da:	8.54
IP(EA), eV:	-9.57(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-[2-(4-bromophenyl)sulfonyl-2-methylpropanoyl]-2,3-dihydroindole-5-carboxylate

Drug info:

PubChemData

Smile

CC(C1=CC=C(C=C1)N2C=NC=N2)N(C)C(=O)C(C)(C)S(=O)(=O)C3=CC=C(C=C3)Br

DOS

IR

Vibrations