Geometry & MOs

Info

ID:	38054
PubChem CID:	8026668
Reduced:	SN3O4H17C20 (1)
Stoich.:	AB3C4D17E20 (1)
Weight, g/mol:	383.209658
ΔH_f, kcal/mol:	-46.76
Dipole, Da:	12.26
IP(EA), eV:	-9.8(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylpropyl]-2-(3,4-dimethylphenoxy)acetamide

Drug info:

PubChemData

Smile

C1C[C@@H](CN(C1)C2=NS(=O)(=O)C3=CC=CC=C32)C(=O)OC4=CC=C(C=C4)C#N

DOS

IR

Vibrations