Geometry & MOs

Info

ID:	284616
PubChem CID:	104055923
Reduced:	ClSN3O3C13H20 (1)
Stoich.:	ABC3D3E13F20 (1)
Weight, g/mol:	322.054277
ΔH_f, kcal/mol:	-121.58
Dipole, Da:	6.1
IP(EA), eV:	-9.81(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-chloro-4-(1,3-dihydroisoindol-2-ylsulfonyl)phenyl]methanamine

Drug info:

PubChemData

Smile

CCCNC(=O)CCNS(=O)(=O)C1=CC(=C(C=C1)CN)Cl

DOS

IR

Vibrations