Geometry & MOs

Info

ID:	134546
PubChem CID:	51712408
Reduced:	ClSN2O6C20H23 (1)
Stoich.:	ABC2D6E20F23 (1)
Weight, g/mol:	462.074927
ΔH_f, kcal/mol:	-210.35
Dipole, Da:	5.92
IP(EA), eV:	-9.21(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(2,3-dichloroanilino)-1-oxopropan-2-yl] 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Cl)O[C@@H](C)C(=O)OCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N(C)C

DOS

IR

Vibrations