Geometry & MOs

Info

ID:	67241
PubChem CID:	46506123
Reduced:	BrSN2F3O5H20C21 (1)
Stoich.:	ABC2D3E5F20G21 (1)
Weight, g/mol:	552.09297
ΔH_f, kcal/mol:	-325.32
Dipole, Da:	8.54
IP(EA), eV:	-9.1(-0.95)
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-(2,5-diethoxyphenyl)propanamide

Drug info:

PubChemData

Smile

CCC(=O)N1CCC2=CC(=C(C=C21)S(=O)(=O)CCC(=O)NC3=CC=C(C=C3)OC(F)(F)F)Br

DOS

IR

Vibrations