Geometry & MOs

Info

ID:	357185
PubChem CID:	127293689
Reduced:	SN2O3C20H22 (1)
Stoich.:	AB2C3D20E22 (1)
Weight, g/mol:	345.103479
ΔH_f, kcal/mol:	-57.66
Dipole, Da:	1.44
IP(EA), eV:	-9.31(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1,3,4,5-tetrahydro-2-benzazepine

Drug info:

PubChemData

Smile

C1CC2=CC=CC=C2CN(C1)S(=O)(=O)C3=CC=CC(=C3)C(=O)NC4CC4

DOS

IR

Vibrations