Geometry & MOs

Info

ID:	66658
PubChem CID:	46505010
Reduced:	BrSN2O5C20H25 (1)
Stoich.:	ABC2D5E20F25 (1)
Weight, g/mol:	439.9864
ΔH_f, kcal/mol:	-169.21
Dipole, Da:	11.04
IP(EA), eV:	-9.05(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)C1CCCN(C1)S(=O)(=O)C2=C(C=C3CCN(C3=C2)C(=O)C4CC4)Br

DOS

IR

Vibrations