Geometry & MOs

Info

ID:	171854
PubChem CID:	75433732
Reduced:	BrSO2N3C13H18 (1)
Stoich.:	ABC2D3E13F18 (1)
Weight, g/mol:	346.109962
ΔH_f, kcal/mol:	-45.44
Dipole, Da:	10.08
IP(EA), eV:	-8.7(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(1-methylpyrrol-3-yl)sulfonylamino]ethyl]-1H-indole-3-carboxamide

Drug info:

PubChemData

Smile

CCN(CCCNC1=C(C=C(C=C1)C#N)Br)S(=O)(=O)C

DOS

IR

Vibrations