Geometry & MOs

Info

ID:	67232
PubChem CID:	46506109
Reduced:	BrSN3O6C26H30 (1)
Stoich.:	ABC3D6E26F30 (1)
Weight, g/mol:	528.01213
ΔH_f, kcal/mol:	-184.09
Dipole, Da:	4.13
IP(EA), eV:	-8.79(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(5-bromo-1-propanoyl-2,3-dihydroindol-6-yl)sulfonyl]-N-(5-chloro-2-methoxyphenyl)propanamide

Drug info:

PubChemData

Smile

CCC(=O)N1CCC2=CC(=C(C=C21)S(=O)(=O)CCC(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5)Br

DOS

IR

Vibrations