Geometry & MOs

Info

ID:	67211
PubChem CID:	46506069
Reduced:	BrSN2O6C24H29 (1)
Stoich.:	ABC2D6E24F29 (1)
Weight, g/mol:	492.07184
ΔH_f, kcal/mol:	-228.53
Dipole, Da:	5.91
IP(EA), eV:	-8.55(-0.36)
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-ethylphenyl)propanamide

Drug info:

PubChemData

Smile

CCC(=O)N1CCC2=CC(=C(C=C21)S(=O)(=O)CCC(=O)NCCC3=CC(=C(C=C3)OC)OC)Br

DOS

IR

Vibrations