Geometry & MOs

Info

ID:	32524
PubChem CID:	7841841
Reduced:	N2O5C17H18 (1)
Stoich.:	A2B5C17D18 (1)
Weight, g/mol:	384.132136
ΔH_f, kcal/mol:	-156.11
Dipole, Da:	5.9
IP(EA), eV:	-9.3(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate

Drug info:

PubChemData

Smile

C1CCC(C1)(C#N)NC(=O)COC(=O)C2=CC3=C(C=C2)OCCO3

DOS

IR

Vibrations