Geometry & MOs

Info

ID:	66747
PubChem CID:	46505194
Reduced:	BrSN2O3C21H25 (1)
Stoich.:	ABC2D3E21F25 (1)
Weight, g/mol:	452.04054
ΔH_f, kcal/mol:	-104.37
Dipole, Da:	9.19
IP(EA), eV:	-8.31(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-acetyl-5-bromo-N-(4-methoxyphenyl)-N,2-dimethyl-2,3-dihydroindole-6-sulfonamide

Drug info:

PubChemData

Smile

CCN(C1=CC(=C(C=C1)C)C)S(=O)(=O)C2=C(C=C3CC(N(C3=C2)C(=O)C)C)Br

DOS

IR

Vibrations