Geometry & MOs

Info

ID:	37270
PubChem CID:	8019032
Reduced:	BrO4H17C18 (1)
Stoich.:	AB4C17D18 (1)
Weight, g/mol:	280.105922
ΔH_f, kcal/mol:	-82.07
Dipole, Da:	6.05
IP(EA), eV:	-8.3(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-acetamidoanilino)-2-oxoethyl] 2-methoxyacetate

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1/C=C/C(=O)C2=CC=C(C=C2)Br)OC)OC

DOS

IR

Vibrations