Geometry & MOs

Info

ID:	39798
PubChem CID:	8142350
Reduced:	NSO2C23H23 (1)
Stoich.:	ABC2D23E23 (1)
Weight, g/mol:	412.022892
ΔH_f, kcal/mol:	-26.39
Dipole, Da:	1.88
IP(EA), eV:	-8.83(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(2-chloro-4-nitroanilino)-1-oxopropan-2-yl] 2-(4-chlorophenoxy)acetate

Drug info:

PubChemData

Smile

CC(C)(C)[C@@H]1C/C(=C/C2=CC=CS2)/C3=NC4=CC=CC=C4C(=C3C1)C(=O)O

DOS

IR

Vibrations