Geometry & MOs

Info

ID:	67222
PubChem CID:	46506086
Reduced:	BrSN3O4C26H32 (1)
Stoich.:	ABC3D4E26F32 (1)
Weight, g/mol:	504.07184
ΔH_f, kcal/mol:	-129.66
Dipole, Da:	8.79
IP(EA), eV:	-8.69(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(5-bromo-1-propanoyl-2,3-dihydroindol-6-yl)sulfonyl]-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one

Drug info:

PubChemData

Smile

CCC(=O)N1CCC2=CC(=C(C=C21)S(=O)(=O)CCC(=O)N3CCN(CC3)C4=C(C=CC(=C4)C)C)Br

DOS

IR

Vibrations