Geometry & MOs

Info

ID:	79662
PubChem CID:	49829898
Reduced:	BrN4O6C13H17 (1)
Stoich.:	AB4C6D13E17 (1)
Weight, g/mol:	415.07831
ΔH_f, kcal/mol:	-256.53
Dipole, Da:	8.34
IP(EA), eV:	-9.78(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-oxo-1-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propan-2-yl] 2-(4-bromophenyl)acetate

Drug info:

PubChemData

Smile

CC(C)NC(=O)NC(=O)C(C)OC(=O)CN1C=C(C(=O)NC1=O)Br

DOS

IR

Vibrations