Geometry & MOs

Info

ID:	74210
PubChem CID:	48421589
Reduced:	SN3O5C17H25 (1)
Stoich.:	AB3C5D17E25 (1)
Weight, g/mol:	334.152872
ΔH_f, kcal/mol:	-196.82
Dipole, Da:	4.73
IP(EA), eV:	-8.86(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[1,3-benzodioxol-5-ylcarbamoyl(cyclopropylmethyl)amino]propanoate

Drug info:

PubChemData

Smile

CCOC(=O)CCN(CC1CC1)C(=O)NC2=NC(=CS2)CC(=O)OCC

DOS

IR

Vibrations