Geometry & MOs

Info

ID:	167839
PubChem CID:	74885133
Reduced:	BrSN2O2C15H21 (1)
Stoich.:	ABC2D2E15F21 (1)
Weight, g/mol:	269.119798
ΔH_f, kcal/mol:	-74.44
Dipole, Da:	6.09
IP(EA), eV:	-8.7(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1H-pyrrol-3-ylsulfonyl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-amine

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)S(=O)(=O)N2CC3CCC(CC3C2)N)Br

DOS

IR

Vibrations