Geometry & MOs

Info

ID:	355790
PubChem CID:	127290642
Reduced:	SN2O4C19H20 (1)
Stoich.:	AB2C4D19E20 (1)
Weight, g/mol:	280.124549
ΔH_f, kcal/mol:	-99.21
Dipole, Da:	3.82
IP(EA), eV:	-9.48(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(azepan-1-ylsulfonyl)-1,3-dihydroisoindole

Drug info:

PubChemData

Smile

C1COCCN1C(=O)C2=CC=C(C=C2)S(=O)(=O)N3CC4=CC=CC=C4C3

DOS

IR

Vibrations