Geometry & MOs

Info

ID:	67263
PubChem CID:	46506160
Reduced:	BrClSN2O4C22H24 (1)
Stoich.:	ABCD2E4F22G24 (1)
Weight, g/mol:	500.0217
ΔH_f, kcal/mol:	-141.42
Dipole, Da:	12.58
IP(EA), eV:	-9.1(-1.05)
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-(3,4-difluorophenyl)propanamide

Drug info:

PubChemData

Smile

CCC(=O)N1CCC2=CC(=C(C=C21)S(=O)(=O)CCC(=O)NCCC3=CC=CC=C3Cl)Br

DOS

IR

Vibrations