Geometry & MOs

Info

ID:	238702
PubChem CID:	92765104
Reduced:	SO4N5C23H37 (1)
Stoich.:	AB4C5D23E37 (1)
Weight, g/mol:	493.272276
ΔH_f, kcal/mol:	-166.12
Dipole, Da:	3.32
IP(EA), eV:	-8.39(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-acetyl-5-(diethylsulfamoyl)-N-[3-(4-ethylpiperazin-1-yl)propyl]-2,3-dihydroindole-2-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)N([C@@H](C2)C(=O)NCCCN3CCN(CC3)C)C(=O)C

DOS

IR

Vibrations