Geometry & MOs

Info

ID:	56596
PubChem CID:	17487146
Reduced:	O2N5H21C24 (1)
Stoich.:	A2B5C21D24 (1)
Weight, g/mol:	388.109293
ΔH_f, kcal/mol:	41.18
Dipole, Da:	5.01
IP(EA), eV:	-8.76(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide

Drug info:

PubChemData

Smile

CC(C1=NC2=CC=CC=C2N1)NC(=O)C3=CC=CC=C3OCC4=CN5C=CC=CC5=N4

DOS

IR

Vibrations