Geometry & MOs

Info

ID:	33158
PubChem CID:	7885204
Reduced:	N2F3O4H19C20 (1)
Stoich.:	A2B3C4D19E20 (1)
Weight, g/mol:	388.118985
ΔH_f, kcal/mol:	-272.4
Dipole, Da:	7.0
IP(EA), eV:	-9.45(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NCC(=O)O[C@@H](C)C(=O)NC2=C(C(=C(C=C2)F)F)F)C

DOS

IR

Vibrations