Geometry & MOs

Info

ID:	357186
PubChem CID:	127293690
Reduced:	NSO4C18H19 (1)
Stoich.:	ABC4D18E19 (1)
Weight, g/mol:	345.103479
ΔH_f, kcal/mol:	-106.66
Dipole, Da:	5.71
IP(EA), eV:	-9.18(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC2=CC=CC=C2CN(C1)S(=O)(=O)C3=CC4=C(C=C3)OCCO4

DOS

IR

Vibrations