Geometry & MOs

Info

ID:	237416
PubChem CID:	92719117
Reduced:	NO7C25H27 (1)
Stoich.:	AB7C25D27 (1)
Weight, g/mol:	453.178752
ΔH_f, kcal/mol:	-221.21
Dipole, Da:	3.64
IP(EA), eV:	-8.72(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]amino]-2-oxoethyl] 3-(propan-2-yloxymethyl)-1-benzofuran-2-carboxylate

Drug info:

PubChemData

Smile

C[C@@H](C1=CC2=C(C=C1)OCCO2)NC(=O)COC(=O)C3=C(C4=CC=CC=C4O3)COC(C)C

DOS

IR

Vibrations