Geometry & MOs

Info

ID:	67235
PubChem CID:	46506113
Reduced:	BrSN3O5C25H30 (1)
Stoich.:	ABC3D5E25F30 (1)
Weight, g/mol:	522.04602
ΔH_f, kcal/mol:	-152.68
Dipole, Da:	8.08
IP(EA), eV:	-7.83(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[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)N3CCN(CC3)C4=CC=CC=C4OC)Br

DOS

IR

Vibrations