Geometry & MOs

Info

ID:	348942
PubChem CID:	127274667
Reduced:	NSO2C12H17 (1)
Stoich.:	ABC2D12E17 (1)
Weight, g/mol:	388.145678
ΔH_f, kcal/mol:	-87.56
Dipole, Da:	4.4
IP(EA), eV:	-8.46(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-propyl-1,3-dihydroisoindol-4-yl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide

Drug info:

PubChemData

Smile

CC1=CC(=C2CCCN(C2=C1)S(=O)(=O)C)C

DOS

IR

Vibrations