Geometry & MOs

Info

ID:	70428
PubChem CID:	48413335
Reduced:	S2N3O4C14H17 (1)
Stoich.:	A2B3C4D14E17 (1)
Weight, g/mol:	369.124609
ΔH_f, kcal/mol:	-74.45
Dipole, Da:	6.06
IP(EA), eV:	-9.54(-2.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[cyclopropyl(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)amino]propanoate

Drug info:

PubChemData

Smile

CCOC(=O)CCN(C1CC1)S(=O)(=O)C2=CC=CC3=C2N=S=N3

DOS

IR

Vibrations