Geometry & MOs

Info

ID:	67238
PubChem CID:	46506118
Reduced:	BrSN2O5C20H29 (1)
Stoich.:	ABC2D5E20F29 (1)
Weight, g/mol:	518.10862
ΔH_f, kcal/mol:	-209.85
Dipole, Da:	9.95
IP(EA), eV:	-9.12(-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-(3,3-diethoxypropyl)propanamide

Drug info:

PubChemData

Smile

CCC(=O)N1CCC2=CC(=C(C=C21)S(=O)(=O)CCC(=O)NCCCOC(C)C)Br

DOS

IR

Vibrations