Geometry & MOs

Info

ID:	67268
PubChem CID:	46506169
Reduced:	BrSN2O5C24H29 (1)
Stoich.:	ABC2D5E24F29 (1)
Weight, g/mol:	510.06242
ΔH_f, kcal/mol:	-172.61
Dipole, Da:	6.24
IP(EA), eV:	-8.15(-0.87)
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-ethyl-N-(4-fluorophenyl)propanamide

Drug info:

PubChemData

Smile

CCC(=O)N1CCC2=CC(=C(C=C21)S(=O)(=O)CCC(=O)N(CC)C3=CC=C(C=C3)OCC)Br

DOS

IR

Vibrations