Geometry & MOs

Info

ID:	64508
PubChem CID:	29202152
Reduced:	N3O3C22H25 (1)
Stoich.:	A3B3C22D25 (1)
Weight, g/mol:	446.01472
ΔH_f, kcal/mol:	-89.51
Dipole, Da:	8.92
IP(EA), eV:	-9.03(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[(3S)-1,1-dioxothiolan-3-yl]-methylamino]-2-oxoethyl] 2-[(3-bromobenzoyl)amino]acetate

Drug info:

PubChemData

Smile

CC(=O)N1CCN(CC1)C(=O)C[C@@H](C2=CC=CC=C2)NC(=O)C3=CC=CC=C3

DOS

IR

Vibrations