Geometry & MOs

Info

ID:	349500
PubChem CID:	127275387
Reduced:	NSO4C19H21 (1)
Stoich.:	ABC4D19E21 (1)
Weight, g/mol:	361.098394
ΔH_f, kcal/mol:	-115.83
Dipole, Da:	7.64
IP(EA), eV:	-8.77(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-2,3-dihydro-1-benzofuran-5-sulfonamide

Drug info:

PubChemData

Smile

C1CC2=C(C1)C=C(C=C2)S(=O)(=O)NCC3=CC4=C(C=C3)OCCCO4

DOS

IR

Vibrations