Geometry & MOs

Info

ID:	65184
PubChem CID:	29204583
Reduced:	ClSN3O6C21H24 (1)
Stoich.:	ABC3D6E21F24 (1)
Weight, g/mol:	481.107434
ΔH_f, kcal/mol:	-185.25
Dipole, Da:	8.87
IP(EA), eV:	-9.32(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-1-[2-(4-chlorobenzoyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide

Drug info:

PubChemData

Smile

CC(C)[C@H](C(=O)NNC(=O)C1=CC=C(C=C1)Cl)NS(=O)(=O)C2=CC3=C(C=C2)OCCCO3

DOS

IR

Vibrations