Geometry & MOs

Info

ID:	33131
PubChem CID:	7885076
Reduced:	NO5C21H23 (1)
Stoich.:	AB5C21D23 (1)
Weight, g/mol:	306.157957
ΔH_f, kcal/mol:	-179.59
Dipole, Da:	8.45
IP(EA), eV:	-9.33(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-(propan-2-ylamino)ethyl] 2-[(3,4-dimethylbenzoyl)amino]acetate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NCC(=O)OCC2=C(C=CC(=C2)C(=O)C)OC)C

DOS

IR

Vibrations