Geometry & MOs

Info

ID:	237275
PubChem CID:	92718074
Reduced:	NO7C23H27 (1)
Stoich.:	AB7C23D27 (1)
Weight, g/mol:	429.178752
ΔH_f, kcal/mol:	-250.1
Dipole, Da:	4.94
IP(EA), eV:	-8.53(-0.69)
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-methoxy-4-propan-2-yloxybenzoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations