Geometry & MOs

Info

ID:	66584
PubChem CID:	46504855
Reduced:	BrSN2O3C20H23 (1)
Stoich.:	ABC2D3E20F23 (1)
Weight, g/mol:	493.10348
ΔH_f, kcal/mol:	-78.08
Dipole, Da:	9.11
IP(EA), eV:	-8.95(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-N-[4-(diethylamino)-2-methylphenyl]-1-propanoyl-2,3-dihydroindole-6-sulfonamide

Drug info:

PubChemData

Smile

CCC(=O)N1CCC2=CC(=C(C=C21)S(=O)(=O)N(CC)CC3=CC=CC=C3)Br

DOS

IR

Vibrations