Geometry & MOs

Info

ID:	33161
PubChem CID:	7885226
Reduced:	N2O4C21H30 (1)
Stoich.:	A2B4C21D30 (1)
Weight, g/mol:	424.166808
ΔH_f, kcal/mol:	-199.29
Dipole, Da:	6.75
IP(EA), eV:	-9.56(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[(3R)-1,1-dioxothiolan-3-yl]-propylamino]-2-oxoethyl] 2-[(3,4-dimethylbenzoyl)amino]acetate

Drug info:

PubChemData

Smile

C[C@@H]1CCCC[C@H]1NC(=O)[C@@H](C)OC(=O)CNC(=O)C2=CC(=C(C=C2)C)C

DOS

IR

Vibrations