Geometry & MOs

Info

ID:	359979
PubChem CID:	127300123
Reduced:	S2N3O4C14H29 (1)
Stoich.:	A2B3C4D14E29 (1)
Weight, g/mol:	388.109293
ΔH_f, kcal/mol:	-176.51
Dipole, Da:	6.32
IP(EA), eV:	-9.81(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CC(CN(C1)S(=O)(=O)NCCS(=O)(=O)NCC2CCC2)C

DOS

IR

Vibrations