Geometry & MOs

Info

ID:	33140
PubChem CID:	7885112
Reduced:	N2O5C21H22 (1)
Stoich.:	A2B5C21D22 (1)
Weight, g/mol:	406.109563
ΔH_f, kcal/mol:	-177.33
Dipole, Da:	5.96
IP(EA), eV:	-9.16(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(2-chloro-4-fluoroanilino)-1-oxopropan-2-yl] 2-[(3,4-dimethylbenzoyl)amino]acetate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NCC(=O)OCC(=O)NC2=CC=CC=C2C(=O)C)C

DOS

IR

Vibrations