Geometry & MOs

Info

ID:	133467
PubChem CID:	51530977
Reduced:	SO2N3C18H21 (1)
Stoich.:	AB2C3D18E21 (1)
Weight, g/mol:	390.161329
ΔH_f, kcal/mol:	-8.21
Dipole, Da:	4.65
IP(EA), eV:	-8.24(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(N-ethyl-3-methylanilino)ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide

Drug info:

PubChemData

Smile

CCN(CCNS(=O)(=O)C1=CC=CC(=C1)C#N)C2=CC=CC(=C2)C

DOS

IR

Vibrations