Geometry & MOs

Info

ID:	345133
PubChem CID:	127268893
Reduced:	NSO3C17H25 (1)
Stoich.:	ABC3D17E25 (1)
Weight, g/mol:	361.098394
ΔH_f, kcal/mol:	-128.18
Dipole, Da:	2.77
IP(EA), eV:	-9.31(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-2,3-dihydro-1,4-benzodioxine-5-sulfonamide

Drug info:

PubChemData

Smile

C1CCC(CC1)CS(=O)(=O)NC2CCCOC3=CC=CC=C23

DOS

IR

Vibrations