Geometry & MOs

Info

ID:	67253
PubChem CID:	46506143
Reduced:	BrSN2O4C22H25 (1)
Stoich.:	ABC2D4E22F25 (1)
Weight, g/mol:	536.06167
ΔH_f, kcal/mol:	-142.58
Dipole, Da:	12.36
IP(EA), eV:	-8.25(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[3-[(5-bromo-1-propanoyl-2,3-dihydroindol-6-yl)sulfonyl]propanoylamino]benzoate

Drug info:

PubChemData

Smile

CCC(=O)N1CCC2=CC(=C(C=C21)S(=O)(=O)CCC(=O)NC3=CC=CC(=C3C)C)Br

DOS

IR

Vibrations