Geometry & MOs

Info

ID:	66512
PubChem CID:	46504712
Reduced:	BrSN2O6C22H23 (1)
Stoich.:	ABC2D6E22F23 (1)
Weight, g/mol:	482.08749
ΔH_f, kcal/mol:	-187.58
Dipole, Da:	8.17
IP(EA), eV:	-8.59(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(1-acetyl-5-bromo-2,3-dihydroindol-6-yl)sulfonyl]-N-[2-(cyclohexen-1-yl)ethyl]propanamide

Drug info:

PubChemData

Smile

CCN(C1=CC2=C(C=C1)OCO2)C(=O)CCS(=O)(=O)C3=C(C=C4CCN(C4=C3)C(=O)C)Br

DOS

IR

Vibrations