Geometry & MOs

Info

ID:	67262
PubChem CID:	46506159
Reduced:	BrFSN2O4C21H22 (1)
Stoich.:	ABCD2E4F21G22 (1)
Weight, g/mol:	526.03287
ΔH_f, kcal/mol:	-178.42
Dipole, Da:	11.48
IP(EA), eV:	-8.76(-1.04)
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-(2-chlorophenyl)ethyl]propanamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations