Geometry & MOs

Info

ID:	67267
PubChem CID:	46506168
Reduced:	BrSN4O4C26H33 (1)
Stoich.:	ABC4D4E26F33 (1)
Weight, g/mol:	536.09806
ΔH_f, kcal/mol:	-120.21
Dipole, Da:	11.32
IP(EA), eV:	-7.98(-1.07)
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-(4-ethoxyphenyl)-N-ethylpropanamide

Drug info:

PubChemData

Smile

CCC(=O)N1CCC2=CC(=C(C=C21)S(=O)(=O)CCC(=O)NCCN3CCN(CC3)C4=CC=CC=C4)Br

DOS

IR

Vibrations