Geometry & MOs

Info

ID:	74134
PubChem CID:	48421503
Reduced:	SN2O5C15H20 (1)
Stoich.:	AB2C5D15E20 (1)
Weight, g/mol:	320.137222
ΔH_f, kcal/mol:	-172.15
Dipole, Da:	4.13
IP(EA), eV:	-9.9(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)CCN(C1CC1)C(=O)C2=CC(=CC=C2)S(=O)(=O)N

DOS

IR

Vibrations