Geometry & MOs

Info

ID:	66585
PubChem CID:	46504858
Reduced:	BrSN3O3C22H28 (1)
Stoich.:	ABC3D3E22F28 (1)
Weight, g/mol:	427.9864
ΔH_f, kcal/mol:	-89.34
Dipole, Da:	8.59
IP(EA), eV:	-7.84(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-1-propanoyl-N-(thiophen-2-ylmethyl)-2,3-dihydroindole-6-sulfonamide

Drug info:

PubChemData

Smile

CCC(=O)N1CCC2=CC(=C(C=C21)S(=O)(=O)NC3=C(C=C(C=C3)N(CC)CC)C)Br

DOS

IR

Vibrations